CID 71587256

Linoleyl sodium sulfate

Structural Information

Molecular Formula
C18H34O4S
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C18H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,19,20,21)/b7-6-,10-9-
InChIKey
LITCTRNCWQFGCO-HZJYTTRNSA-N
Compound name
[(9Z,12Z)-octadeca-9,12-dienyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

346.21777 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22505 189.1
[M+Na]+ 369.20699 194.9
[M+NH4]+ 364.25159 192.7
[M+K]+ 385.18093 186.4
[M-H]- 345.21049 185.1
[M+Na-2H]- 367.19244 187.3
[M]+ 346.21722 188.8
[M]- 346.21832 188.8
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