CID 106931

67874-61-7

Structural Information

Molecular Formula
C6H10O6S
SMILES
C(C#COCC(CS(=O)(=O)O)O)O
InChI
InChI=1S/C6H10O6S/c7-2-1-3-12-4-6(8)5-13(9,10)11/h6-8H,2,4-5H2,(H,9,10,11)
InChIKey
KZALDFBXDANNHR-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-hydroxyprop-1-ynoxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0198 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02708 137.2
[M+Na]+ 233.00902 143.4
[M+NH4]+ 228.05362 138.2
[M+K]+ 248.98296 137.9
[M-H]- 209.01252 124.7
[M+Na-2H]- 230.99447 134.4
[M]+ 210.01925 133.6
[M]- 210.02035 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.