CID 11203400

Mayolene-16

Structural Information

Molecular Formula
C34H60O4
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](/C=C\CCCCCCCC(=O)O)/C=C\C/C=C\CC
InChI
InChI=1S/C34H60O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-27-31-34(37)38-32(28-24-20-8-6-4-2)29-25-21-17-16-18-22-26-30-33(35)36/h6,8,24-25,28-29,32H,3-5,7,9-23,26-27,30-31H2,1-2H3,(H,35,36)/b8-6-,28-24-,29-25-/t32-/m0/s1
InChIKey
XHGMWSVXYAFIMA-IPBGHUMISA-N
Compound name
(9Z,11R,12Z,15Z)-11-hexadecanoyloxyoctadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

532.44916 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.45644 239.8
[M+Na]+ 555.43838 247.0
[M-H]- 531.44188 228.1
[M+NH4]+ 550.48298 242.0
[M+K]+ 571.41232 246.5
[M+H-H2O]+ 515.44642 240.2
[M+HCOO]- 577.44736 244.9
[M+CH3COO]- 591.46301 250.6
[M+Na-2H]- 553.42383 226.3
[M]+ 532.44861 238.9
[M]- 532.44971 238.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.