CID 12398305

3-methoxy-4-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=C(C=CC(=C1)C(=O)O)C(=O)OC
InChI
InChI=1S/C10H10O5/c1-14-8-5-6(9(11)12)3-4-7(8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChIKey
MAIDVTUHEDEKMF-UHFFFAOYSA-N
Compound name
3-methoxy-4-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

210.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.060106 140.5
[M+Na]+ 233.042048 148.7
[M-H]- 209.045554 143.4
[M+NH4]+ 228.086653 158.7
[M+K]+ 249.015988 148.3
[M+H-H2O]+ 193.050090 134.8
[M+HCOO]- 255.051031 162.8
[M+CH3COO]- 269.066681 183.7
[M+Na-2H]- 231.027496 144.0
[M]+ 210.05228142 144.2
[M]- 210.05337858 144.2
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

patents stripe