CID 11542383

Magnesium oleth sulfate

Structural Information

Molecular Formula
C20H40O5S
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C20H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h9-10H,2-8,11-20H2,1H3,(H,21,22,23)/b10-9-
InChIKey
LDTCTAGTAXFWGB-KTKRTIGZSA-N
Compound name
2-[(Z)-octadec-9-enoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

160
Patents

392.25964 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.26692 199.5
[M+Na]+ 415.24886 201.0
[M-H]- 391.25236 195.8
[M+NH4]+ 410.29346 210.7
[M+K]+ 431.22280 196.2
[M+H-H2O]+ 375.25690 192.1
[M+HCOO]- 437.25784 212.1
[M+CH3COO]- 451.27349 217.1
[M+Na-2H]- 413.23431 197.2
[M]+ 392.25909 210.7
[M]- 392.26019 210.7
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.