CID 641297

Methyl 4-methoxycinnamate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC1=CC=C(C=C1)/C=C/C(=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/b8-5+

InChIKey

VEZIKIAGFYZTCI-VMPITWQZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 1187
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]+	193.085916	139.9
[M+Na]+	215.067858	147.8
[M-H]-	191.071364	143.7
[M+NH4]+	210.112463	159.7
[M+K]+	231.041798	146.3
[M+H-H2O]+	175.075900	134.0
[M+HCOO]-	237.076841	164.0
[M+CH3COO]-	251.092491	182.3
[M+Na-2H]-	213.053306	145.2
[M]+	192.07809142	143.1
[M]-	192.07918858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe