CID 610016

3,4-bis(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C11H10O6
SMILES
COC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OC
InChI
InChI=1S/C11H10O6/c1-16-10(14)7-4-3-6(9(12)13)5-8(7)11(15)17-2/h3-5H,1-2H3,(H,12,13)
InChIKey
KUQGJFOIULVBKJ-UHFFFAOYSA-N
Compound name
3,4-bis(methoxycarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

238.04774 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.055016 146.1
[M+Na]+ 261.036958 153.9
[M-H]- 237.040464 149.0
[M+NH4]+ 256.081563 163.1
[M+K]+ 277.010898 153.8
[M+H-H2O]+ 221.045000 140.3
[M+HCOO]- 283.045941 167.5
[M+CH3COO]- 297.061591 188.4
[M+Na-2H]- 259.022406 148.1
[M]+ 238.04719142 150.3
[M]- 238.04828858 150.3
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