CID 103658

2-hydroxy-3-(prop-2-en-1-yloxy)propane-1-sulfonic acid

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
3
Annotation Hits

2
References

8678
Patents

196.04054 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047816 139.5
[M+Na]+ 219.029758 146.1
[M-H]- 195.033264 136.9
[M+NH4]+ 214.074363 157.6
[M+K]+ 235.003698 144.1
[M+H-H2O]+ 179.037800 134.9
[M+HCOO]- 241.038741 153.9
[M+CH3COO]- 255.054391 174.4
[M+Na-2H]- 217.015206 141.9
[M]+ 196.03999142 142.9
[M]- 196.04108858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe