CID 21949286

157825-88-2

Structural Information

Molecular Formula

C₄H₁₁NO₂S

SMILES

CS(=O)(=O)CCCN

InChI

InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3

InChIKey

QUYFSHOLLKVPGX-UHFFFAOYSA-N

Compound name

3-methylsulfonylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 386
Patents: 137.05106 Da
Monoisotopic Mass: -1.0
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]+	138.05834	128.1
[M+Na]+	160.04028	136.6
[M+NH4]+	155.08488	135.5
[M+K]+	176.01422	130.7
[M-H]-	136.04378	126.9
[M+Na-2H]-	158.02573	130.5
[M]+	137.05051	129.1
[M]-	137.05161	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe