CID 10920696

Pentane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CCCCCS(=O)(=O)N

InChI

InChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8)

InChIKey

ICFQGMYPBURXAZ-UHFFFAOYSA-N

Compound name

pentane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 973
Patents: 151.0667 Da
Monoisotopic Mass: 0.7
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]+	152.07398	132.4
[M+Na]+	174.05592	140.6
[M+NH4]+	169.10052	139.6
[M+K]+	190.02986	134.6
[M-H]-	150.05942	131.1
[M+Na-2H]-	172.04137	134.6
[M]+	151.06615	133.3
[M]-	151.06725	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe