Metabolite Trimethylselenonium
- Name
- Trimethylselenonium
- Description
- Not Available
- Structure
Structure for Trimethylselenonium
- Synonyms
- Not Available
- UNII
- SL67TG557G
- CAS number
- Not Available
- Weight
- Average: 124.06
Monoisotopic: 124.986947116 - Chemical Formula
- C3H9Se
- InChI Key
- BWJVPBNHAHLFAZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1
- IUPAC Name
- trimethylselanium
- SMILES
- C[Se+](C)C
- Reactions
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0ab9-0900000000-c2316c0d70c4617e1e33 - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 120.37912 predictedDeepCCS 1.0 (2019) [M+H]+ 122.340454 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.54869 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0042052
- KEGG Compound
- C18872
- ChemSpider
- 82691
- ChEBI
- 77058
- Predicted Properties
Property Value Source Water Solubility 10.8 mg/mL ALOGPS logP 1.56 ALOGPS logP 0.88 Chemaxon logS -1.2 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 29.76 m3·mol-1 Chemaxon Polarizability 9.42 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon