CID 45790943

4,6-dihydroxypyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C1=C(N=C(NC1=O)C(=O)O)O
InChI
InChI=1S/C5H4N2O4/c8-2-1-3(9)7-4(6-2)5(10)11/h1H,(H,10,11)(H2,6,7,8,9)
InChIKey
TYCRGCVWEVPXJQ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

156.0171 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02438 126.5
[M+Na]+ 179.00632 136.3
[M-H]- 155.00982 124.4
[M+NH4]+ 174.05092 142.9
[M+K]+ 194.98026 133.7
[M+H-H2O]+ 139.01436 120.5
[M+HCOO]- 201.01530 145.5
[M+CH3COO]- 215.03095 167.0
[M+Na-2H]- 176.99177 132.7
[M]+ 156.01655 124.9
[M]- 156.01765 124.9
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