CID 1472795

117390-07-5

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C1=CC=C(C=C1)/C=C/C(=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)/b7-4+
InChIKey
PVHMYONDAPXJSB-QPJJXVBHSA-N
Compound name
(E)-3-(4-methoxycarbonylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

197
Patents

206.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 142.2
[M+Na]+ 229.047118 149.6
[M-H]- 205.050624 144.7
[M+NH4]+ 224.091723 160.4
[M+K]+ 245.021058 147.6
[M+H-H2O]+ 189.055160 136.5
[M+HCOO]- 251.056101 164.2
[M+CH3COO]- 265.071751 181.8
[M+Na-2H]- 227.032566 145.8
[M]+ 206.05735142 143.6
[M]- 206.05844858 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.