CID 23660

Benzalamide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(=CC1=CC=CC=C1)CC(=O)N

InChI

InChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)

InChIKey

KAJZGRFYZKWYDX-UHFFFAOYSA-N

Compound name

3-methyl-4-phenylbut-3-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 493
Patents: 175.09972 Da
Monoisotopic Mass: 2.0
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]+	176.106996	139.7
[M+Na]+	198.088938	145.5
[M-H]-	174.092444	142.5
[M+NH4]+	193.133543	159.1
[M+K]+	214.062878	142.9
[M+H-H2O]+	158.096980	133.6
[M+HCOO]-	220.097921	162.6
[M+CH3COO]-	234.113571	182.8
[M+Na-2H]-	196.074386	143.5
[M]+	175.09917142	137.2
[M]-	175.10026858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe