Metabolite 4- hydroxyphenelzine

Name

4- hydroxyphenelzine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 152.197
Monoisotopic: 152.094963014

Chemical Formula

C₈H₁₂N₂O

InChI Key

KBLDKGLSSFDZES-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O/c9-10-6-5-7-1-3-8(11)4-2-7/h1-4,10-11H,5-6,9H2

IUPAC Name

4-(2-hydrazinylethyl)phenol

SMILES

NNCCC1=CC=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-5900000000-b334836a05a361ce5b18
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0v03-5900000000-fa1ebed7363c140489d1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gi0-0900000000-9070fdd874ac2e34e816
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fvi-9400000000-fb426f48173c837d4fb6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-1900000000-3fe3f30277ebe12edf2a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9100000000-8e36f728924bb7e50501

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	137.7604816	predicted	DarkChem Lite v0.1.0
[M-H]-	128.61765	predicted	DeepCCS 1.0 (2019)
[M+H]+	137.8107816	predicted	DarkChem Lite v0.1.0
[M+H]+	132.44856	predicted	DeepCCS 1.0 (2019)
[M+Na]+	138.4016816	predicted	DarkChem Lite v0.1.0
[M+Na]+	141.69443	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties