CID 58132593

1050514-24-3

Structural Information

Molecular Formula

C₄H₁₁NO₄S₂

SMILES

CS(=O)(=O)CCCS(=O)(=O)N

InChI

InChI=1S/C4H11NO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3,(H2,5,8,9)

InChIKey

QAZZSBPFRXXQPY-UHFFFAOYSA-N

Compound name

3-methylsulfonylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 201.01295 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]+	202.02023	140.1
[M+Na]+	224.00217	147.8
[M-H]-	200.00567	139.6
[M+NH4]+	219.04677	158.7
[M+K]+	239.97611	144.4
[M+H-H2O]+	184.01021	134.9
[M+HCOO]-	246.01115	151.8
[M+CH3COO]-	260.02680	179.4
[M+Na-2H]-	221.98762	143.3
[M]+	201.01240	142.9
[M]-	201.01350	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe