CID 56935931

Linoleyl myristoleate

Structural Information

Molecular Formula
C32H56O2
SMILES
CCCC/C=C\CCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C32H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h5,7,10-13,16-17H,3-4,6,8-9,14-15,18-31H2,1-2H3/b7-5-,12-10-,13-11-,17-16-
InChIKey
QAEGREPHWCDXPX-SGVZYWSQSA-N
Compound name
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

472.42804 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.43532 233.9
[M+Na]+ 495.41726 239.7
[M-H]- 471.42076 216.3
[M+NH4]+ 490.46186 231.0
[M+K]+ 511.39120 223.3
[M+H-H2O]+ 455.42530 225.0
[M+HCOO]- 517.42624 243.3
[M+CH3COO]- 531.44189 241.9
[M+Na-2H]- 493.40271 226.2
[M]+ 472.42749 231.6
[M]- 472.42859 231.6
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