CID 2313079

N-benzylcrotonamide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3,(H,12,13)/b6-2+

InChIKey

QLDAZEKDPMBLOR-QHHAFSJGSA-N

Compound name

(E)-N-benzylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 86
Patents: 175.09972 Da
Monoisotopic Mass: 1.8
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]+	176.10700	138.8
[M+Na]+	198.08894	145.0
[M-H]-	174.09244	142.2
[M+NH4]+	193.13354	158.7
[M+K]+	214.06288	142.3
[M+H-H2O]+	158.09698	132.6
[M+HCOO]-	220.09792	163.5
[M+CH3COO]-	234.11357	181.9
[M+Na-2H]-	196.07439	145.0
[M]+	175.09917	138.0
[M]-	175.10027	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe