CID 519810

Hexadecyl methanesulfonate

Structural Information

Molecular Formula
C17H36O3S
SMILES
CCCCCCCCCCCCCCCCOS(=O)(=O)C
InChI
InChI=1S/C17H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h3-17H2,1-2H3
InChIKey
FESYLDKBOOCXRD-UHFFFAOYSA-N
Compound name
hexadecyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

320.23853 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24581 182.2
[M+Na]+ 343.22775 185.5
[M-H]- 319.23125 180.7
[M+NH4]+ 338.27235 197.3
[M+K]+ 359.20169 181.8
[M+H-H2O]+ 303.23579 175.5
[M+HCOO]- 365.23673 196.6
[M+CH3COO]- 379.25238 208.6
[M+Na-2H]- 341.21320 181.1
[M]+ 320.23798 192.1
[M]- 320.23908 192.1
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