CID 3086270

88203-04-7

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC(=O)C1=CC=CC=C1NCC#N

InChI

InChI=1S/C10H10N2O/c1-8(13)9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,7H2,1H3

InChIKey

QTNVPWDRZGZZMZ-UHFFFAOYSA-N

Compound name

2-(2-acetylanilino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.07932 Da
Monoisotopic Mass: 2.1
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]+	175.08660	140.6
[M+Na]+	197.06854	151.8
[M+NH4]+	192.11314	145.2
[M+K]+	213.04248	142.5
[M-H]-	173.07204	135.6
[M+Na-2H]-	195.05399	144.5
[M]+	174.07877	139.8
[M]-	174.07987	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.