CID 4567820

2-(methylsulfonyl)pyrimidin-5-ol

Structural Information

Molecular Formula

C₅H₆N₂O₃S

SMILES

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

InChI

InChI=1S/C5H6N2O3S/c1-11(9,10)5-6-2-4(8)3-7-5/h2-3,8H,1H3

InChIKey

ZWBVWXWEOSZANB-UHFFFAOYSA-N

Compound name

2-methylsulfonylpyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.00992 Da
Monoisotopic Mass: -0.6
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]+	175.01720	133.7
[M+Na]+	196.99914	145.5
[M+NH4]+	192.04374	140.3
[M+K]+	212.97308	139.8
[M-H]-	173.00264	132.6
[M+Na-2H]-	194.98459	138.8
[M]+	174.00937	135.3
[M]-	174.01047	135.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.