CID 76691

N-benzylmethacrylamide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(=C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C11H13NO/c1-9(2)11(13)12-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,12,13)

InChIKey

CEBFLGHPYLIZSC-UHFFFAOYSA-N

Compound name

N-benzyl-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4401
Patents: 175.09972 Da
Monoisotopic Mass: 1.9
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	139.0
[M+Na]+	198.088938	144.8
[M-H]-	174.092444	142.4
[M+NH4]+	193.133543	158.7
[M+K]+	214.062878	142.7
[M+H-H2O]+	158.096980	132.9
[M+HCOO]-	220.097921	162.6
[M+CH3COO]-	234.113571	183.5
[M+Na-2H]-	196.074386	144.0
[M]+	175.09917142	137.6
[M]-	175.10026858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe