CID 2380464

2-cyano-n-(2,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CC#N

InChI

InChI=1S/C11H12N2O/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6H2,1-2H3,(H,13,14)

InChIKey

VIUNSIQTGADORL-UHFFFAOYSA-N

Compound name

2-cyano-N-(2,6-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 188.09496 Da
Monoisotopic Mass: 1.8
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]+	189.10224	143.6
[M+Na]+	211.08418	155.0
[M+NH4]+	206.12878	148.1
[M+K]+	227.05812	145.7
[M-H]-	187.08768	138.6
[M+Na-2H]-	209.06963	147.2
[M]+	188.09441	142.8
[M]-	188.09551	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe