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

94
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 186.7
[M+Na]+ 355.22775 192.9
[M+NH4]+ 350.27235 191.2
[M+K]+ 371.20169 184.0
[M-H]- 331.23125 183.5
[M+Na-2H]- 353.21320 185.4
[M]+ 332.23798 186.8
[M]- 332.23908 186.8
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