CID 56935944

Palmitoleyl linolenate

Structural Information

Molecular Formula
C34H60O2
SMILES
CCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C34H60O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19H,3-4,6,8-10,12,15,18,20-33H2,1-2H3/b7-5-,13-11-,16-14-,19-17-
InChIKey
QWKCWGUBCWGXIH-OZFAJUOSSA-N
Compound name
[(Z)-hexadec-9-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

500.45932 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.46660 238.3
[M+Na]+ 523.44854 246.4
[M-H]- 499.45204 222.5
[M+NH4]+ 518.49314 238.0
[M+K]+ 539.42248 245.0
[M+H-H2O]+ 483.45658 238.2
[M+HCOO]- 545.45752 249.6
[M+CH3COO]- 559.47317 247.6
[M+Na-2H]- 521.43399 224.9
[M]+ 500.45877 238.5
[M]- 500.45987 238.5
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

patents stripe