CID 45450

Benzyl alcohol, alpha-(hydrazinomethyl)-, hydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(CNN)O

InChI

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

InChIKey

KSOOBHGJJYAGNP-UHFFFAOYSA-N

Compound name

2-hydrazinyl-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 152.09496 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.102236	131.4
[M+Na]+	175.084178	136.8
[M-H]-	151.087684	133.1
[M+NH4]+	170.128783	150.8
[M+K]+	191.058118	134.8
[M+H-H2O]+	135.092220	125.4
[M+HCOO]-	197.093161	155.5
[M+CH3COO]-	211.108811	177.7
[M+Na-2H]-	173.069626	137.9
[M]+	152.09441142	127.3
[M]-	152.09550858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe