CID 103561

51946-13-5

Structural Information

Molecular Formula
C13H28O5S
SMILES
CCCCCCCCCCOCC(CS(=O)(=O)O)O
InChI
InChI=1S/C13H28O5S/c1-2-3-4-5-6-7-8-9-10-18-11-13(14)12-19(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)
InChIKey
PFTRWKDHFVUGOR-UHFFFAOYSA-N
Compound name
3-decoxy-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.16574 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17302 171.6
[M+Na]+ 319.15496 176.8
[M+NH4]+ 314.19956 175.5
[M+K]+ 335.12890 171.4
[M-H]- 295.15846 166.9
[M+Na-2H]- 317.14041 169.8
[M]+ 296.16519 171.0
[M]- 296.16629 171.0
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.