CID 427104

3-(2-phenylhydrazino)propiononitrile

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1=CC=C(C=C1)NNCCC#N

InChI

InChI=1S/C9H11N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,8H2

InChIKey

OVNYWIYYPXSYKH-UHFFFAOYSA-N

Compound name

3-(2-phenylhydrazinyl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 161.09529 Da
Monoisotopic Mass: 1.4
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]+	162.102566	136.0
[M+Na]+	184.084508	143.8
[M-H]-	160.088014	138.7
[M+NH4]+	179.129113	153.8
[M+K]+	200.058448	140.9
[M+H-H2O]+	144.092550	123.0
[M+HCOO]-	206.093491	158.5
[M+CH3COO]-	220.109141	194.5
[M+Na-2H]-	182.069956	143.9
[M]+	161.09474142	129.4
[M]-	161.09583858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe