CID 3051331

Sodium lauryl glyceryl ether sulfonate

Structural Information

Molecular Formula
C15H32O5S2
SMILES
CCCCCCCCCCCCOC[C@@H](COS(=O)(=S)O)O
InChI
InChI=1S/C15H32O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15(16)14-20-22(17,18)21/h15-16H,2-14H2,1H3,(H,17,18,21)/t15-/m0/s1
InChIKey
SKLBVENTCWBDHA-HNNXBMFYSA-N
Compound name
(2S)-1-dodecoxy-3-hydroxysulfonothioyloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

356.16913 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17641 184.3
[M+Na]+ 379.15835 185.9
[M-H]- 355.16185 179.3
[M+NH4]+ 374.20295 195.9
[M+K]+ 395.13229 180.7
[M+H-H2O]+ 339.16639 177.5
[M+HCOO]- 401.16733 189.8
[M+CH3COO]- 415.18298 206.4
[M+Na-2H]- 377.14380 181.2
[M]+ 356.16858 192.0
[M]- 356.16968 192.0
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.