CID 123891803

4-methanesulfonylbutane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₄S₂

SMILES

CS(=O)(=O)CCCCS(=O)(=O)N

InChI

InChI=1S/C5H13NO4S2/c1-11(7,8)4-2-3-5-12(6,9)10/h2-5H2,1H3,(H2,6,9,10)

InChIKey

AWXKEKFJXAXDFU-UHFFFAOYSA-N

Compound name

4-methylsulfonylbutane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.0286 Da
Monoisotopic Mass: -1.0
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]+	216.03588	144.3
[M+Na]+	238.01782	151.6
[M-H]-	214.02132	143.6
[M+NH4]+	233.06242	162.3
[M+K]+	253.99176	147.9
[M+H-H2O]+	198.02586	138.9
[M+HCOO]-	260.02680	155.7
[M+CH3COO]-	274.04245	182.4
[M+Na-2H]-	236.00327	147.1
[M]+	215.02805	147.5
[M]-	215.02915	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe