CID 73242179

Mayolene-19

Structural Information

Molecular Formula
C37H66O4
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](/C=C\CCCCCCCC(=O)O)/C=C\C/C=C\CC
InChI
InChI=1S/C37H66O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-30-34-37(40)41-35(31-27-23-8-6-4-2)32-28-24-20-19-21-25-29-33-36(38)39/h6,8,27-28,31-32,35H,3-5,7,9-26,29-30,33-34H2,1-2H3,(H,38,39)/b8-6-,31-27-,32-28-/t35-/m0/s1
InChIKey
ZBRFIBBSTKLUNQ-XGYXFQHVSA-N
Compound name
(9Z,11R,12Z,15Z)-11-nonadecanoyloxyoctadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.4961 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.50338 250.1
[M+Na]+ 597.48532 256.7
[M-H]- 573.48882 237.2
[M+NH4]+ 592.52992 252.2
[M+K]+ 613.45926 257.5
[M+H-H2O]+ 557.49336 250.1
[M+HCOO]- 619.49430 254.0
[M+CH3COO]- 633.50995 259.0
[M+Na-2H]- 595.47077 235.2
[M]+ 574.49555 249.0
[M]- 574.49665 249.0
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.