CID 4078262

17551-48-3

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

CC1=NC=C(C(=O)N1)S(=O)(=O)C

InChI

InChI=1S/C6H8N2O3S/c1-4-7-3-5(6(9)8-4)12(2,10)11/h3H,1-2H3,(H,7,8,9)

InChIKey

LOEFVJGHANFJTC-UHFFFAOYSA-N

Compound name

2-methyl-5-methylsulfonyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.02556 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]+	189.03284	138.3
[M+Na]+	211.01478	150.2
[M+NH4]+	206.05938	144.4
[M+K]+	226.98872	144.4
[M-H]-	187.01828	136.9
[M+Na-2H]-	209.00023	142.8
[M]+	188.02501	139.8
[M]-	188.02611	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe