CID 4547916

N-isobutylmethanesulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CC(C)CNS(=O)(=O)C

InChI

InChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3

InChIKey

XBGDRQUFMJRVAL-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
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	132.8
[M+Na]+	174.05592	140.9
[M+NH4]+	169.10052	140.0
[M+K]+	190.02986	135.5
[M-H]-	150.05942	131.4
[M+Na-2H]-	172.04137	135.1
[M]+	151.06615	133.7
[M]-	151.06725	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe