CID 14512

4,6-dihydroxypyrimidine

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1=C(N=CNC1=O)O

InChI

InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

InChIKey

DUFGYCAXVIUXIP-UHFFFAOYSA-N

Compound name

4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 3944
Patents: 112.027275 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]+	113.03455	117.6
[M+Na]+	135.01649	130.4
[M+NH4]+	130.06110	124.8
[M+K]+	150.99043	125.8
[M-H]-	111.02000	117.1
[M+Na-2H]-	133.00194	124.2
[M]+	112.02673	119.0
[M]-	112.02782	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe