CID 71488935

Sodium lauroyl 2-methyl isethionate

Structural Information

Molecular Formula
C15H30O5S
SMILES
CCCCCCCCCCCC(=O)OC(C)CS(=O)(=O)O
InChI
InChI=1S/C15H30O5S/c1-3-4-5-6-7-8-9-10-11-12-15(16)20-14(2)13-21(17,18)19/h14H,3-13H2,1-2H3,(H,17,18,19)
InChIKey
RWBFRSNBARGKRA-UHFFFAOYSA-N
Compound name
2-dodecanoyloxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2125
Patents

322.1814 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18868 179.2
[M+Na]+ 345.17062 184.3
[M+NH4]+ 340.21522 182.7
[M+K]+ 361.14456 178.8
[M-H]- 321.17412 174.5
[M+Na-2H]- 343.15607 177.2
[M]+ 322.18085 178.5
[M]- 322.18195 178.5
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