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

78
Patents

210.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.5
[M+Na]+ 233.04205 148.7
[M-H]- 209.04555 143.4
[M+NH4]+ 228.08665 158.7
[M+K]+ 249.01599 148.3
[M+H-H2O]+ 193.05009 134.8
[M+HCOO]- 255.05103 162.8
[M+CH3COO]- 269.06668 183.7
[M+Na-2H]- 231.02750 144.0
[M]+ 210.05228 144.2
[M]- 210.05338 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