CID 56935922

Myristoleyl laurate

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCC
InChI
InChI=1S/C26H50O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h9,11H,3-8,10,12-25H2,1-2H3/b11-9-
InChIKey
FCFZEKPMNDZSLV-LUAWRHEFSA-N
Compound name
[(Z)-tetradec-9-enyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

394.38107 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 213.1
[M+Na]+ 417.37029 212.5
[M-H]- 393.37379 209.7
[M+NH4]+ 412.41489 215.0
[M+K]+ 433.34423 207.2
[M+H-H2O]+ 377.37833 204.9
[M+HCOO]- 439.37927 230.2
[M+CH3COO]- 453.39492 228.6
[M+Na-2H]- 415.35574 208.3
[M]+ 394.38052 222.7
[M]- 394.38162 222.7
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