CID 14596246

2-hexyldecyl mesylate

Structural Information

Molecular Formula
C17H36O3S
SMILES
CCCCCCCCC(CCCCCC)COS(=O)(=O)C
InChI
InChI=1S/C17H36O3S/c1-4-6-8-10-11-13-15-17(14-12-9-7-5-2)16-20-21(3,18)19/h17H,4-16H2,1-3H3
InChIKey
XZGFCPHKLRQESC-UHFFFAOYSA-N
Compound name
2-hexyldecyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

320.23853 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24581 182.5
[M+Na]+ 343.22775 185.5
[M-H]- 319.23125 181.1
[M+NH4]+ 338.27235 197.5
[M+K]+ 359.20169 182.4
[M+H-H2O]+ 303.23579 175.9
[M+HCOO]- 365.23673 195.8
[M+CH3COO]- 379.25238 209.3
[M+Na-2H]- 341.21320 180.3
[M]+ 320.23798 191.8
[M]- 320.23908 191.8
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