CID 100904

58965-17-6

Structural Information

Molecular Formula
C9H20O5S
SMILES
CCCCCCOCC(CS(=O)(=O)O)O
InChI
InChI=1S/C9H20O5S/c1-2-3-4-5-6-14-7-9(10)8-15(11,12)13/h9-10H,2-8H2,1H3,(H,11,12,13)
InChIKey
QKMYOHWJHJDWOQ-UHFFFAOYSA-N
Compound name
3-hexoxy-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10315 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11043 153.8
[M+Na]+ 263.09237 158.9
[M-H]- 239.09587 150.7
[M+NH4]+ 258.13697 170.3
[M+K]+ 279.06631 156.8
[M+H-H2O]+ 223.10041 148.7
[M+HCOO]- 285.10135 167.1
[M+CH3COO]- 299.11700 184.3
[M+Na-2H]- 261.07782 154.9
[M]+ 240.10260 159.1
[M]- 240.10370 159.1
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.