CID 92841

4-methoxycinnamate methyl ester

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3

InChIKey

VEZIKIAGFYZTCI-UHFFFAOYSA-N

Compound name

methyl 3-(4-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 1177
Patents: 192.07864 Da
Monoisotopic Mass: 2.6
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]+	193.08592	139.9
[M+Na]+	215.06786	147.8
[M-H]-	191.07136	143.7
[M+NH4]+	210.11246	159.7
[M+K]+	231.04180	146.3
[M+H-H2O]+	175.07590	134.0
[M+HCOO]-	237.07684	164.0
[M+CH3COO]-	251.09249	182.3
[M+Na-2H]-	213.05331	145.2
[M]+	192.07809	143.1
[M]-	192.07919	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe