CID 5175075

Sodium lauroyl hydroxypropyl sulfonate

Structural Information

Molecular Formula
C15H30O6S
SMILES
CCCCCCCCCCCC(=O)OCC(CS(=O)(=O)O)O
InChI
InChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22(18,19)20/h14,16H,2-13H2,1H3,(H,18,19,20)
InChIKey
QSCVMVDOAMAIHJ-UHFFFAOYSA-N
Compound name
3-dodecanoyloxy-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

338.1763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18358 181.6
[M+Na]+ 361.16552 183.9
[M-H]- 337.16902 177.3
[M+NH4]+ 356.21012 193.8
[M+K]+ 377.13946 181.0
[M+H-H2O]+ 321.17356 175.3
[M+HCOO]- 383.17450 192.3
[M+CH3COO]- 397.19015 203.5
[M+Na-2H]- 359.15097 179.1
[M]+ 338.17575 189.1
[M]- 338.17685 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe