CID 75128

2182-38-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC(C)(C#N)NC1=CC=CC=C1

InChI

InChI=1S/C10H12N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3

InChIKey

NCTOGJVAFQWQOR-UHFFFAOYSA-N

Compound name

2-anilino-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 126
Patents: 160.10005 Da
Monoisotopic Mass: 2.3
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]+	161.10733	139.5
[M+Na]+	183.08927	150.7
[M+NH4]+	178.13387	144.8
[M+K]+	199.06321	141.3
[M-H]-	159.09277	134.7
[M+Na-2H]-	181.07472	144.3
[M]+	160.09950	138.9
[M]-	160.10060	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe