CID 20152313

2-methylbutane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CCC(C)CS(=O)(=O)N

InChI

InChI=1S/C5H13NO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)

InChIKey

NKKVYYDBILPIJV-UHFFFAOYSA-N

Compound name

2-methylbutane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 151.0667 Da
Monoisotopic Mass: 0.6
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]+	152.07398	132.6
[M+Na]+	174.05592	140.5
[M+NH4]+	169.10052	139.7
[M+K]+	190.02986	135.3
[M-H]-	150.05942	131.1
[M+Na-2H]-	172.04137	134.5
[M]+	151.06615	133.5
[M]-	151.06725	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe