CID 72913

2-aminobenzonitrile

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

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

InChI

InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2

InChIKey

HLCPWBZNUKCSBN-UHFFFAOYSA-N

Compound name

2-aminobenzonitrile

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 38
References: 8579
Patents: 118.0531 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]+	119.060376	124.7
[M+Na]+	141.042318	135.1
[M-H]-	117.045824	128.0
[M+NH4]+	136.086923	144.6
[M+K]+	157.016258	132.3
[M+H-H2O]+	101.050360	113.0
[M+HCOO]-	163.051301	146.5
[M+CH3COO]-	177.066951	185.0
[M+Na-2H]-	139.027766	131.8
[M]+	118.05255142	117.6
[M]-	118.05364858	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe