CID 85065

Sodium;3-prop-2-enoyloxypropane-1-sulfonic acid

Structural Information

Molecular Formula

C₆H₁₀O₅S

SMILES

C=CC(=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C6H10O5S/c1-2-6(7)11-4-3-5-12(8,9)10/h2H,1,3-5H2,(H,8,9,10)

InChIKey

NYUTUWAFOUJLKI-UHFFFAOYSA-N

Compound name

3-prop-2-enoyloxypropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 16348
Patents: 194.02489 Da
Monoisotopic Mass: -0.1
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]+	195.03217	137.8
[M+Na]+	217.01411	145.3
[M-H]-	193.01761	136.9
[M+NH4]+	212.05871	156.8
[M+K]+	232.98805	143.7
[M+H-H2O]+	177.02215	133.3
[M+HCOO]-	239.02309	154.0
[M+CH3COO]-	253.03874	175.4
[M+Na-2H]-	214.99956	140.8
[M]+	194.02434	142.4
[M]-	194.02544	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe