CID 113361

Benzonitrile, 2-hydrazinyl-

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

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

InChI

InChI=1S/C7H7N3/c8-5-6-3-1-2-4-7(6)10-9/h1-4,10H,9H2

InChIKey

HINFZKWHKTZDQX-UHFFFAOYSA-N

Compound name

2-hydrazinylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 133.064 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]+	134.071276	129.2
[M+Na]+	156.053218	138.5
[M-H]-	132.056724	132.2
[M+NH4]+	151.097823	148.0
[M+K]+	172.027158	135.9
[M+H-H2O]+	116.061260	116.9
[M+HCOO]-	178.062201	151.6
[M+CH3COO]-	192.077851	189.5
[M+Na-2H]-	154.038666	136.3
[M]+	133.06345142	121.3
[M]-	133.06454858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe