CID 65133

4-hydroxy-3-methoxycinnamic acid ethyl ester

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3
InChIKey
ATJVZXXHKSYELS-UHFFFAOYSA-N
Compound name
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

109
References

4186
Patents

222.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.5
[M+Na]+ 245.07842 155.3
[M-H]- 221.08192 150.0
[M+NH4]+ 240.12302 165.5
[M+K]+ 261.05236 153.3
[M+H-H2O]+ 205.08646 141.6
[M+HCOO]- 267.08740 169.9
[M+CH3COO]- 281.10305 186.0
[M+Na-2H]- 243.06387 151.1
[M]+ 222.08865 151.0
[M]- 222.08975 151.0
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