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

3
Annotation Hits: 11
References: 4398
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	116.9
[M+Na]+	135.01649	126.9
[M-H]-	111.02000	115.9
[M+NH4]+	130.06110	135.8
[M+K]+	150.99043	124.5
[M+H-H2O]+	95.024535	110.9
[M+HCOO]-	157.02548	138.1
[M+CH3COO]-	171.04113	160.7
[M+Na-2H]-	133.00194	126.1
[M]+	112.02673	114.8
[M]-	112.02782	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe