CID 56935934

Myristyl linolenate

Structural Information

Molecular Formula
C32H58O2
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C32H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-31H2,1-2H3/b7-5-,13-11-,18-17-
InChIKey
LNZYYCFZPLZOEF-SVNQLWEDSA-N
Compound name
tetradecyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

474.4437 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.45098 235.5
[M+Na]+ 497.43292 241.2
[M-H]- 473.43642 217.5
[M+NH4]+ 492.47752 232.8
[M+K]+ 513.40686 225.2
[M+H-H2O]+ 457.44096 226.5
[M+HCOO]- 519.44190 244.5
[M+CH3COO]- 533.45755 243.2
[M+Na-2H]- 495.41837 227.8
[M]+ 474.44315 233.9
[M]- 474.44425 233.9
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