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
2
Annotation Hits

0
References

379
Patents

346.25418 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26146 189.7
[M+Na]+ 369.24340 192.5
[M-H]- 345.24690 187.8
[M+NH4]+ 364.28800 203.7
[M+K]+ 385.21734 187.7
[M+H-H2O]+ 329.25144 182.7
[M+HCOO]- 391.25238 203.6
[M+CH3COO]- 405.26803 213.0
[M+Na-2H]- 367.22885 187.7
[M]+ 346.25363 199.5
[M]- 346.25473 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.