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

466
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

literature stripe

Patent stripe

patents stripe