CID 16767703

348143-66-8

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC1=CC=CC=C1C(C#N)N

InChI

InChI=1S/C9H10N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,9H,11H2,1H3

InChIKey

KYCSNYWAEPNUDO-UHFFFAOYSA-N

Compound name

2-amino-2-(2-methylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 146.0844 Da
Monoisotopic Mass: 1.1
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]+	147.09168	134.1
[M+Na]+	169.07362	145.6
[M+NH4]+	164.11822	139.5
[M+K]+	185.04756	136.4
[M-H]-	145.07712	129.7
[M+Na-2H]-	167.05907	138.4
[M]+	146.08385	133.6
[M]-	146.08495	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe