CID 20401522

2-methanesulfonylethane-1-sulfonamide

Structural Information

Molecular Formula

C₃H₉NO₄S₂

SMILES

CS(=O)(=O)CCS(=O)(=O)N

InChI

InChI=1S/C3H9NO4S2/c1-9(5,6)2-3-10(4,7)8/h2-3H2,1H3,(H2,4,7,8)

InChIKey

MASSUGWMWUCANP-UHFFFAOYSA-N

Compound name

2-methylsulfonylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 186.9973 Da
Monoisotopic Mass: -1.7
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]+	188.00458	135.9
[M+Na]+	209.98652	144.0
[M-H]-	185.99002	135.6
[M+NH4]+	205.03112	155.0
[M+K]+	225.96046	140.8
[M+H-H2O]+	169.99456	130.9
[M+HCOO]-	231.99550	147.9
[M+CH3COO]-	246.01115	176.4
[M+Na-2H]-	207.97197	139.5
[M]+	186.99675	138.3
[M]-	186.99785	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe