CID 74795

1979-98-2

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

CSC1=NC(=CC(=O)N1)O

InChI

InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)

InChIKey

AEXCUJUYEZIWJV-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 655
Patents: 158.015 Da
Monoisotopic Mass: 0.1
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]+	159.02228	129.7
[M+Na]+	181.00422	142.1
[M+NH4]+	176.04882	137.0
[M+K]+	196.97816	135.3
[M-H]-	157.00772	129.5
[M+Na-2H]-	178.98967	134.7
[M]+	158.01445	131.6
[M]-	158.01555	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe