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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.02438	128.1
[M+Na]+	179.00632	139.2
[M+NH4]+	174.05092	133.1
[M+K]+	194.98026	136.7
[M-H]-	155.00982	125.6
[M+Na-2H]-	176.99177	132.0
[M]+	156.01655	128.4
[M]-	156.01765	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe