CID 6284920

3,5-dimethoxycinnamic acid methyl ester

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=CC(=CC(=C1)/C=C/C(=O)OC)OC
InChI
InChI=1S/C12H14O4/c1-14-10-6-9(4-5-12(13)16-3)7-11(8-10)15-2/h4-8H,1-3H3/b5-4+
InChIKey
SPYLOSISVANWEF-SNAWJCMRSA-N
Compound name
methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

222.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.6
[M+Na]+ 245.078418 155.0
[M-H]- 221.081924 150.6
[M+NH4]+ 240.123023 165.4
[M+K]+ 261.052358 153.9
[M+H-H2O]+ 205.086460 140.6
[M+HCOO]- 267.087401 170.6
[M+CH3COO]- 281.103051 188.6
[M+Na-2H]- 243.063866 150.8
[M]+ 222.08865142 152.1
[M]- 222.08974858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe