CID 13289225

2-(methylsulfonyl)pyrimidine

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

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

InChI

InChI=1S/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H3

InChIKey

OIGXNHYFKZCTCH-UHFFFAOYSA-N

Compound name

2-methylsulfonylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 900
Patents: 158.015 Da
Monoisotopic Mass: -0.2
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	130.0
[M+Na]+	181.00422	142.5
[M+NH4]+	176.04882	137.6
[M+K]+	196.97816	135.8
[M-H]-	157.00772	129.9
[M+Na-2H]-	178.98967	136.5
[M]+	158.01445	132.2
[M]-	158.01555	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe