CID 11100545

Magnesium lauryl hydroxypropyl sulfonate

Structural Information

Molecular Formula
C15H32O6S
SMILES
CCCCCCCCCCCCOCC(COS(=O)(=O)O)O
InChI
InChI=1S/C15H32O6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-15(16)14-21-22(17,18)19/h15-16H,2-14H2,1H3,(H,17,18,19)
InChIKey
ZRJXRFLDXJTCMA-UHFFFAOYSA-N
Compound name
(3-dodecoxy-2-hydroxypropyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

340.19196 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19924 182.3
[M+Na]+ 363.18118 184.5
[M-H]- 339.18468 177.9
[M+NH4]+ 358.22578 194.6
[M+K]+ 379.15512 181.6
[M+H-H2O]+ 323.18922 175.7
[M+HCOO]- 385.19016 193.9
[M+CH3COO]- 399.20581 204.2
[M+Na-2H]- 361.16663 180.9
[M]+ 340.19141 191.2
[M]- 340.19251 191.2
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

patents stripe