CID 5363293

60037-58-3

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCC/C=C\CCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7H,3-5,8-19H2,1-2H3/b7-6-
InChIKey
PPNRRQMJESAXGJ-SREVYHEPSA-N
Compound name
[(Z)-octadec-13-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

181
Patents

310.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 186.6
[M+Na]+ 333.27639 188.6
[M-H]- 309.27989 184.5
[M+NH4]+ 328.32099 201.7
[M+K]+ 349.25033 184.9
[M+H-H2O]+ 293.28443 179.6
[M+HCOO]- 355.28537 205.7
[M+CH3COO]- 369.30102 210.9
[M+Na-2H]- 331.26184 185.0
[M]+ 310.28662 194.0
[M]- 310.28772 194.0
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