CID 45934109

Linoleyl palmitate

Structural Information

Molecular Formula
C34H64O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18H,3-10,12,14-16,19-33H2,1-2H3/b13-11-,18-17-
InChIKey
FRGROTDLFLPWAC-BCTRXSSUSA-N
Compound name
[(9Z,12Z)-octadeca-9,12-dienyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

504.49063 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.49791 242.6
[M+Na]+ 527.47985 249.5
[M-H]- 503.48335 225.2
[M+NH4]+ 522.52445 241.6
[M+K]+ 543.45379 249.0
[M+H-H2O]+ 487.48789 242.4
[M+HCOO]- 549.48883 252.1
[M+CH3COO]- 563.50448 250.3
[M+Na-2H]- 525.46530 228.1
[M]+ 504.49008 243.2
[M]- 504.49118 243.2
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