CID 6450205

1-octene-1-sulfonic acid, sodium salt

Structural Information

Molecular Formula
C8H16O3S
SMILES
CCCCCC/C=C/S(=O)(=O)O
InChI
InChI=1S/C8H16O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h7-8H,2-6H2,1H3,(H,9,10,11)/b8-7+
InChIKey
FDVWKHPUNHWEJY-BQYQJAHWSA-N
Compound name
(E)-oct-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

192.08202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08930 144.7
[M+Na]+ 215.07124 153.0
[M+NH4]+ 210.11584 150.9
[M+K]+ 231.04518 146.3
[M-H]- 191.07474 142.0
[M+Na-2H]- 213.05669 145.7
[M]+ 192.08147 145.3
[M]- 192.08257 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe