CID 16383207

N-(3-cyanophenyl)-2-methylpropanamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

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

InChI

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

InChIKey

JWBISRKEEZGPFB-UHFFFAOYSA-N

Compound name

N-(3-cyanophenyl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 188.09496 Da
Monoisotopic Mass: 2.2
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	144.7
[M+Na]+	211.08418	155.4
[M+NH4]+	206.12878	149.1
[M+K]+	227.05812	146.7
[M-H]-	187.08768	139.5
[M+Na-2H]-	209.06963	148.1
[M]+	188.09441	143.8
[M]-	188.09551	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe