CID 3016296

41730-79-4

Structural Information

Molecular Formula

C₄H₈N₂O₃S

SMILES

CS(=O)(=O)N1CCNC1=O

InChI

InChI=1S/C4H8N2O3S/c1-10(8,9)6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)

InChIKey

WTCUHYRXLIHSLY-UHFFFAOYSA-N

Compound name

1-methylsulfonylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 89
Patents: 164.02556 Da
Monoisotopic Mass: -1.1
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]+	165.032836	132.3
[M+Na]+	187.014778	141.4
[M-H]-	163.018284	132.3
[M+NH4]+	182.059383	151.9
[M+K]+	202.988718	139.6
[M+H-H2O]+	147.022820	127.1
[M+HCOO]-	209.023761	146.6
[M+CH3COO]-	223.039411	168.7
[M+Na-2H]-	185.000226	134.7
[M]+	164.02501142	131.7
[M]-	164.02610858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe