CID 99390

27098-98-2

Structural Information

Molecular Formula

C₄H₆N₂O₂S

SMILES

CS(=O)(=O)C1=NC=CN1

InChI

InChI=1S/C4H6N2O2S/c1-9(7,8)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey

YNKRJGZPPAUPLQ-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 164
Patents: 146.015 Da
Monoisotopic Mass: -0.4
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]+	147.02228	128.7
[M+Na]+	169.00422	138.8
[M+NH4]+	164.04882	135.7
[M+K]+	184.97816	134.8
[M-H]-	145.00772	127.1
[M+Na-2H]-	166.98967	132.7
[M]+	146.01445	129.9
[M]-	146.01555	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe