CID 676413

5-methylbarbituride

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CC1=C(NC(=O)NC1=O)O

InChI

InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)

InChIKey

INCRRYKLCCVPJD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 245
Patents: 142.03784 Da
Monoisotopic Mass: -0.7
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]+	143.04512	125.3
[M+Na]+	165.02706	137.7
[M+NH4]+	160.07166	131.1
[M+K]+	181.00100	133.9
[M-H]-	141.03056	123.6
[M+Na-2H]-	163.01251	129.9
[M]+	142.03729	126.2
[M]-	142.03839	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe