CID 290988

4,5-dimethoxyphthalic acid

Structural Information

Molecular Formula
C10H10O6
SMILES
COC1=C(C=C(C(=C1)C(=O)O)C(=O)O)OC
InChI
InChI=1S/C10H10O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKey
SKBDLRWFSRLIPP-UHFFFAOYSA-N
Compound name
4,5-dimethoxyphthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

226.04774 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.055016 142.7
[M+Na]+ 249.036958 151.2
[M-H]- 225.040464 144.5
[M+NH4]+ 244.081563 159.7
[M+K]+ 265.010898 150.6
[M+H-H2O]+ 209.045000 137.2
[M+HCOO]- 271.045941 163.6
[M+CH3COO]- 285.061591 185.5
[M+Na-2H]- 247.022406 145.2
[M]+ 226.04719142 146.5
[M]- 226.04828858 146.5
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