CID 21458690

3-(ethanesulfonyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CCS(=O)(=O)CCCN

InChI

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

InChIKey

UDZUCQFIJDKVQY-UHFFFAOYSA-N

Compound name

3-ethylsulfonylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
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

No literature data available for this compound.

Patent stripe

patents stripe