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: 27
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]+	147.091676	134.3
[M+Na]+	169.073618	143.6
[M-H]-	145.077124	137.3
[M+NH4]+	164.118223	153.1
[M+K]+	185.047558	140.8
[M+H-H2O]+	129.081660	122.2
[M+HCOO]-	191.082601	154.5
[M+CH3COO]-	205.098251	191.2
[M+Na-2H]-	167.059066	139.2
[M]+	146.08385142	127.2
[M]-	146.08494858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe