CID 11344514

70875-53-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=CC=C(C=C1)CNC(=O)C=C

InChI

InChI=1S/C11H13NO2/c1-3-11(13)12-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H,12,13)

InChIKey

OZRCAHXQCJTFMS-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.101916	141.2
[M+Na]+	214.083858	148.2
[M-H]-	190.087364	144.9
[M+NH4]+	209.128463	160.6
[M+K]+	230.057798	146.1
[M+H-H2O]+	174.091900	135.0
[M+HCOO]-	236.092841	166.0
[M+CH3COO]-	250.108491	185.8
[M+Na-2H]-	212.069306	146.7
[M]+	191.09409142	142.2
[M]-	191.09518858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe