CID 14185116

Chembl388073

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC(=O)N/C=C/C1=CC=CC=C1OC

InChI

InChI=1S/C11H13NO2/c1-9(13)12-8-7-10-5-3-4-6-11(10)14-2/h3-8H,1-2H3,(H,12,13)/b8-7+

InChIKey

WEXHCHYQQNOYBX-BQYQJAHWSA-N

Compound name

N-[(E)-2-(2-methoxyphenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: 1.5
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]+	192.10192	141.5
[M+Na]+	214.08386	148.5
[M-H]-	190.08736	145.2
[M+NH4]+	209.12846	160.9
[M+K]+	230.05780	146.4
[M+H-H2O]+	174.09190	135.3
[M+HCOO]-	236.09284	166.3
[M+CH3COO]-	250.10849	185.1
[M+Na-2H]-	212.06931	147.0
[M]+	191.09409	142.4
[M]-	191.09519	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.