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]+ 321.245806 182.5
[M+Na]+ 343.227748 185.5
[M-H]- 319.231254 181.1
[M+NH4]+ 338.272353 197.5
[M+K]+ 359.201688 182.4
[M+H-H2O]+ 303.235790 175.9
[M+HCOO]- 365.236731 195.8
[M+CH3COO]- 379.252381 209.3
[M+Na-2H]- 341.213196 180.3
[M]+ 320.23798142 191.8
[M]- 320.23907858 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