CID 6437334

Einecs 225-148-5

Structural Information

Molecular Formula
C18H36O3S
SMILES
CCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O
InChI
InChI=1S/C18H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h17-18H,2-16H2,1H3,(H,19,20,21)/b18-17+
InChIKey
GYVKLDBUSXDBPV-ISLYRVAYSA-N
Compound name
(E)-octadec-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

332.23853 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24581 185.5
[M+Na]+ 355.22775 188.2
[M-H]- 331.23125 182.4
[M+NH4]+ 350.27235 199.3
[M+K]+ 371.20169 182.8
[M+H-H2O]+ 315.23579 179.0
[M+HCOO]- 377.23673 198.2
[M+CH3COO]- 391.25238 207.4
[M+Na-2H]- 353.21320 183.5
[M]+ 332.23798 193.1
[M]- 332.23908 193.1
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