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
2
Annotation Hits

0
References

209
Patents

268.13443 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.141706 162.6
[M+Na]+ 291.123648 166.8
[M-H]- 267.127154 159.1
[M+NH4]+ 286.168253 177.9
[M+K]+ 307.097588 164.3
[M+H-H2O]+ 251.131690 157.0
[M+HCOO]- 313.132631 175.2
[M+CH3COO]- 327.148281 190.3
[M+Na-2H]- 289.109096 162.7
[M]+ 268.13388142 168.6
[M]- 268.13497858 168.6
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.