CID 199829

N-(1-cyano-1-phenylethyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

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

InChI

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

InChIKey

ZACKFNNGIAQEBM-UHFFFAOYSA-N

Compound name

N-(1-cyano-1-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.09496 Da
Monoisotopic Mass: 1.2
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	146.0
[M+Na]+	211.08418	156.4
[M+NH4]+	206.12878	150.2
[M+K]+	227.05812	147.8
[M-H]-	187.08768	140.3
[M+Na-2H]-	209.06963	149.7
[M]+	188.09441	144.9
[M]-	188.09551	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe