CID 6433269

2-ethylhexenylsulfonate, sodium salt

Structural Information

Molecular Formula
C8H16O3S
SMILES
CCCC/C(=C/S(=O)(=O)O)/CC
InChI
InChI=1S/C8H16O3S/c1-3-5-6-8(4-2)7-12(9,10)11/h7H,3-6H2,1-2H3,(H,9,10,11)/b8-7+
InChIKey
RDVALHTXRXRCTF-BQYQJAHWSA-N
Compound name
(E)-2-ethylhex-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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 142.0
[M+Na]+ 215.07124 148.7
[M-H]- 191.07474 140.9
[M+NH4]+ 210.11584 161.4
[M+K]+ 231.04518 146.3
[M+H-H2O]+ 175.07928 137.5
[M+HCOO]- 237.08022 156.9
[M+CH3COO]- 251.09587 178.2
[M+Na-2H]- 213.05669 143.7
[M]+ 192.08147 145.2
[M]- 192.08257 145.2
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.