CID 227975

Dimethyl 2,3-dihydroxyterephthalate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

226.04774 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05502 143.2
[M+Na]+ 249.03696 151.8
[M-H]- 225.04046 145.1
[M+NH4]+ 244.08156 160.4
[M+K]+ 265.01090 151.3
[M+H-H2O]+ 209.04500 137.8
[M+HCOO]- 271.04594 164.1
[M+CH3COO]- 285.06159 184.2
[M+Na-2H]- 247.02241 145.6
[M]+ 226.04719 146.8
[M]- 226.04829 146.8
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.