CID 108619

Pentadecene-1-sulfonic acid, sodium salt

Structural Information

Molecular Formula
C15H30O3S
SMILES
C=CCCCCCCCCCCCCCS(=O)(=O)O
InChI
InChI=1S/C15H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h2H,1,3-15H2,(H,16,17,18)
InChIKey
YYQBTZFGQLUUHP-UHFFFAOYSA-N
Compound name
pentadec-14-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.19156 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19884 172.4
[M+Na]+ 313.18078 176.4
[M-H]- 289.18428 169.9
[M+NH4]+ 308.22538 187.9
[M+K]+ 329.15472 171.7
[M+H-H2O]+ 273.18882 166.4
[M+HCOO]- 335.18976 186.1
[M+CH3COO]- 349.20541 199.1
[M+Na-2H]- 311.16623 171.9
[M]+ 290.19101 179.0
[M]- 290.19211 179.0
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