CID 56935959

Oleyl linolenate

Structural Information

Molecular Formula
C36H64O2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C36H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20H,3-5,7,9-11,13,15-16,21-35H2,1-2H3/b8-6-,14-12-,19-17-,20-18-
InChIKey
OIRFIBZVTFIPSF-XEKZTXPJSA-N
Compound name
[(Z)-octadec-9-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

528.49066 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.49794 245.2
[M+Na]+ 551.47988 253.0
[M-H]- 527.48338 228.7
[M+NH4]+ 546.52448 244.9
[M+K]+ 567.45382 252.4
[M+H-H2O]+ 511.48792 244.9
[M+HCOO]- 573.48886 255.8
[M+CH3COO]- 587.50451 253.4
[M+Na-2H]- 549.46533 230.9
[M]+ 528.49011 245.2
[M]- 528.49121 245.2
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