CID 22723521

2,5-dihydroxybenzene-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C8H6O6
SMILES
C1=C(C=C(C(=C1C(=O)O)O)C(=O)O)O
InChI
InChI=1S/C8H6O6/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey
GOEWOMATKBPGDT-UHFFFAOYSA-N
Compound name
2,5-dihydroxybenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

198.01643 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.023706 135.4
[M+Na]+ 221.005648 143.7
[M-H]- 197.009154 134.6
[M+NH4]+ 216.050253 151.9
[M+K]+ 236.979588 141.9
[M+H-H2O]+ 181.013690 130.6
[M+HCOO]- 243.014631 153.8
[M+CH3COO]- 257.030281 175.0
[M+Na-2H]- 218.991096 137.7
[M]+ 198.01588142 134.6
[M]- 198.01697858 134.6
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