CID 257232

2-cyano-2-phenylbutanamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

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

InChI

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

InChIKey

QKSRTQXCXWMMLG-UHFFFAOYSA-N

Compound name

2-cyano-2-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1289
Patents: 188.09496 Da
Monoisotopic Mass: 1.4
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	146.0
[M+Na]+	211.08418	156.1
[M+NH4]+	206.12878	150.1
[M+K]+	227.05812	147.8
[M-H]-	187.08768	140.2
[M+Na-2H]-	209.06963	149.3
[M]+	188.09441	144.9
[M]-	188.09551	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe