CID 56935936

Myristoleyl oleate

Structural Information

Molecular Formula
C32H60O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC/C=C\CCCC
InChI
InChI=1S/C32H60O2/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/h10,12,17-18H,3-9,11,13-16,19-31H2,1-2H3/b12-10-,18-17-
InChIKey
GTCWHKMMUCANJX-OANVVFKNSA-N
Compound name
[(Z)-tetradec-9-enyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

476.45932 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.46660 237.1
[M+Na]+ 499.44854 242.8
[M-H]- 475.45204 218.9
[M+NH4]+ 494.49314 234.6
[M+K]+ 515.42248 227.0
[M+H-H2O]+ 459.45658 228.0
[M+HCOO]- 521.45752 245.8
[M+CH3COO]- 535.47317 244.6
[M+Na-2H]- 497.43399 229.3
[M]+ 476.45877 236.3
[M]- 476.45987 236.3
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