CID 103658

52556-42-0

Structural Information

Molecular Formula

C₆H₁₂O₅S

SMILES

C=CCOCC(CS(=O)(=O)O)O

InChI

InChI=1S/C6H12O5S/c1-2-3-11-4-6(7)5-12(8,9)10/h2,6-7H,1,3-5H2,(H,8,9,10)

InChIKey

KOQQKLZTINXBAS-UHFFFAOYSA-N

Compound name

2-hydroxy-3-prop-2-enoxypropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6140
Patents: 196.04054 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]+	197.04782	141.9
[M+Na]+	219.02976	148.7
[M+NH4]+	214.07436	146.7
[M+K]+	235.00370	144.7
[M-H]-	195.03326	137.3
[M+Na-2H]-	217.01521	141.6
[M]+	196.03999	141.5
[M]-	196.04109	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe