CID 103563

Sodium caprylyl pg-sulfonate

Structural Information

Molecular Formula
C11H24O5S
SMILES
CCCCCCCCOCC(CS(=O)(=O)O)O
InChI
InChI=1S/C11H24O5S/c1-2-3-4-5-6-7-8-16-9-11(12)10-17(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)
InChIKey
CEKLFGQGDZREAI-UHFFFAOYSA-N
Compound name
2-hydroxy-3-octoxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

268.13443 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14171 163.3
[M+Na]+ 291.12365 168.9
[M+NH4]+ 286.16825 167.5
[M+K]+ 307.09759 163.9
[M-H]- 267.12715 158.7
[M+Na-2H]- 289.10910 162.0
[M]+ 268.13388 162.7
[M]- 268.13498 162.7
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.