CID 135434278

2-(3-carboxyphenyl)-5,6-dihydroxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O6
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C12H8N2O6/c15-8-7(12(19)20)13-9(14-10(8)16)5-2-1-3-6(4-5)11(17)18/h1-4,15H,(H,17,18)(H,19,20)(H,13,14,16)
InChIKey
BIDOQALARKPSLM-UHFFFAOYSA-N
Compound name
2-(3-carboxyphenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04552 156.2
[M+Na]+ 299.02746 165.0
[M-H]- 275.03096 156.2
[M+NH4]+ 294.07206 166.5
[M+K]+ 315.00140 160.9
[M+H-H2O]+ 259.03550 148.5
[M+HCOO]- 321.03644 172.2
[M+CH3COO]- 335.05209 189.6
[M+Na-2H]- 297.01291 158.5
[M]+ 276.03769 155.0
[M]- 276.03879 155.0
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.