CID 73268

5-hydroxyuracil

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

C1=C(C(=O)NC(=O)N1)O

InChI

InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)

InChIKey

OFJNVANOCZHTMW-UHFFFAOYSA-N

Compound name

5-hydroxy-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 104
References: 2979
Patents: 128.02219 Da
Monoisotopic Mass: -1.1
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]+	129.02947	119.9
[M+Na]+	151.01141	130.5
[M-H]-	127.01491	117.8
[M+NH4]+	146.05601	137.6
[M+K]+	166.98535	127.1
[M+H-H2O]+	111.01945	114.2
[M+HCOO]-	173.02039	139.9
[M+CH3COO]-	187.03604	160.8
[M+Na-2H]-	148.99686	127.7
[M]+	128.02164	117.0
[M]-	128.02274	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe