CID 3675

Phenelzine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1=CC=C(C=C1)CCNN

InChI

InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2

InChIKey

RMUCZJUITONUFY-UHFFFAOYSA-N

Compound name

2-phenylethylhydrazine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1594
References: 28818
Patents: 136.10005 Da
Monoisotopic Mass: 1.2
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]+	137.107326	127.0
[M+Na]+	159.089268	133.2
[M-H]-	135.092774	130.1
[M+NH4]+	154.133873	147.9
[M+K]+	175.063208	131.1
[M+H-H2O]+	119.097310	121.0
[M+HCOO]-	181.098251	153.4
[M+CH3COO]-	195.113901	177.3
[M+Na-2H]-	157.074716	135.4
[M]+	136.09950142	124.1
[M]-	136.10059858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe