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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.