CID 4532734

Methanesulfonic acid palmitoleyl ester

Structural Information

Molecular Formula
C17H34O3S
SMILES
CCCCCCC=CCCCCCCCCOS(=O)(=O)C
InChI
InChI=1S/C17H34O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h8-9H,3-7,10-17H2,1-2H3
InChIKey
SNUPNOSJSJKCJM-UHFFFAOYSA-N
Compound name
hexadec-9-enyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

318.22287 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23015 181.1
[M+Na]+ 341.21209 184.7
[M-H]- 317.21559 179.6
[M+NH4]+ 336.25669 196.2
[M+K]+ 357.18603 180.5
[M+H-H2O]+ 301.22013 174.5
[M+HCOO]- 363.22107 195.7
[M+CH3COO]- 377.23672 207.0
[M+Na-2H]- 339.19754 180.0
[M]+ 318.22232 190.2
[M]- 318.22342 190.2
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