CID 58685067

3-(2-aminoethanesulfonyl)prop-1-ene hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

C=CCS(=O)(=O)CCN

InChI

InChI=1S/C5H11NO2S/c1-2-4-9(7,8)5-3-6/h2H,1,3-6H2

InChIKey

MUYJHTAIMYCTET-UHFFFAOYSA-N

Compound name

2-prop-2-enylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 149.05106 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]+	150.05834	132.0
[M+Na]+	172.04028	140.3
[M+NH4]+	167.08488	138.9
[M+K]+	188.01422	134.1
[M-H]-	148.04378	130.5
[M+Na-2H]-	170.02573	134.1
[M]+	149.05051	132.9
[M]-	149.05161	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe