CID 6016198

Oleyl methanesulphonate

Structural Information

Molecular Formula
C19H38O3S
SMILES
CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)C
InChI
InChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey
SFCVHVDJESFESU-KHPPLWFESA-N
Compound name
[(Z)-octadec-9-enyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

395
Patents

346.25418 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.261456 189.7
[M+Na]+ 369.243398 192.5
[M-H]- 345.246904 187.8
[M+NH4]+ 364.288003 203.7
[M+K]+ 385.217338 187.7
[M+H-H2O]+ 329.251440 182.7
[M+HCOO]- 391.252381 203.6
[M+CH3COO]- 405.268031 213.0
[M+Na-2H]- 367.228846 187.7
[M]+ 346.25363142 199.5
[M]- 346.25472858 199.5
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.