CID 73242176

Mayolene-14

Structural Information

Molecular Formula
C32H56O4
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](/C=C\CCCCCCCC(=O)O)/C=C\C/C=C\CC
InChI
InChI=1S/C32H56O4/c1-3-5-7-9-10-11-12-13-17-21-25-29-32(35)36-30(26-22-18-8-6-4-2)27-23-19-15-14-16-20-24-28-31(33)34/h6,8,22-23,26-27,30H,3-5,7,9-21,24-25,28-29H2,1-2H3,(H,33,34)/b8-6-,26-22-,27-23-/t30-/m0/s1
InChIKey
COMCEKCDENOSMR-RHUSWNTQSA-N
Compound name
(9Z,11R,12Z,15Z)-11-tetradecanoyloxyoctadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.41785 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.42513 232.9
[M+Na]+ 527.40707 240.4
[M-H]- 503.41057 221.9
[M+NH4]+ 522.45167 235.2
[M+K]+ 543.38101 239.1
[M+H-H2O]+ 487.41511 233.5
[M+HCOO]- 549.41605 238.7
[M+CH3COO]- 563.43170 244.9
[M+Na-2H]- 525.39252 220.2
[M]+ 504.41730 232.1
[M]- 504.41840 232.1
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

No patent data available for this compound.