CID 118222

35193-14-7

Structural Information

Molecular Formula
C7H12O6S
SMILES
C(C#CCOCC(CS(=O)(=O)O)O)O
InChI
InChI=1S/C7H12O6S/c8-3-1-2-4-13-5-7(9)6-14(10,11)12/h7-9H,3-6H2,(H,10,11,12)
InChIKey
QZORKNSWLRFBEF-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(4-hydroxybut-2-ynoxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03546 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04274 141.0
[M+Na]+ 247.02468 147.0
[M+NH4]+ 242.06928 141.8
[M+K]+ 262.99862 141.2
[M-H]- 223.02818 128.4
[M+Na-2H]- 245.01013 138.0
[M]+ 224.03491 137.3
[M]- 224.03601 137.3
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.