CID 513624

Barbiturate(1-)

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

C1=C(NC(=O)NC1=O)O

InChI

InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)

InChIKey

GWEJPUMJAQFCBN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1000
References: 16954
Patents: 128.02219 Da
Monoisotopic Mass: -1.3
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	120.9
[M+Na]+	151.01141	133.1
[M+NH4]+	146.05601	126.8
[M+K]+	166.98535	129.3
[M-H]-	127.01491	119.1
[M+Na-2H]-	148.99686	125.9
[M]+	128.02164	121.7
[M]-	128.02274	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe