CID 191145

Methylsulfonylbutylamine

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CS(=O)(=O)CCCCN

InChI

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

InChIKey

JBCXLECUHIZQBB-UHFFFAOYSA-N

Compound name

4-methylsulfonylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
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	132.4
[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