Metabolite Nitric Oxide

Name
Nitric Oxide
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 30.0061
Monoisotopic: 29.997988627
Chemical Formula
NO
InChI Key
MWUXSHHQAYIFBG-UHFFFAOYSA-N
InChI
InChI=1S/NO/c1-2
IUPAC Name
nitroso
SMILES
[N]=O
Reactions
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-001i-9000000000-d182bfca83d886821e6d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-4faa0e3c79683567bab0
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-108.68115
predicted
DeepCCS 1.0 (2019)
[M-H]-108.68115
predicted
DeepCCS 1.0 (2019)
[M+H]+110.43489
predicted
DeepCCS 1.0 (2019)
[M+H]+110.43489
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.18667
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.18667
predicted
DeepCCS 1.0 (2019)
Human Metabolome Database
HMDB0003378
KEGG Compound
C00533
ChemSpider
127983
ChEBI
16480
ChEMBL
CHEMBL1200689
PharmGKB
PA450635
Wikipedia
Nitric_oxide
Predicted Properties
PropertyValueSource
logP-0.35Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area34.14 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity2.89 m3·mol-1Chemaxon
Polarizability1.69 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon