CID 86881

Benzoic acid, 4-(2-carboxyethenyl)-, 1-methyl ester

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C11H10O4/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-7H,1H3,(H,12,13)
InChIKey
PVHMYONDAPXJSB-UHFFFAOYSA-N
Compound name
3-(4-methoxycarbonylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

190
Patents

206.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.2
[M+Na]+ 229.04712 149.6
[M-H]- 205.05062 144.7
[M+NH4]+ 224.09172 160.4
[M+K]+ 245.02106 147.6
[M+H-H2O]+ 189.05516 136.5
[M+HCOO]- 251.05610 164.2
[M+CH3COO]- 265.07175 181.8
[M+Na-2H]- 227.03257 145.8
[M]+ 206.05735 143.6
[M]- 206.05845 143.6
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.