CID 16061062

Alpha-15(16)-epode

Structural Information

Molecular Formula
C18H30O3
SMILES
CCC1C(O1)C/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4-,12-10-
InChIKey
HKSDVVJONLXYKL-OHPMOLHNSA-N
Compound name
(9Z,12Z)-14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

34
Patents

294.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 171.0
[M+Na]+ 317.20870 180.5
[M+NH4]+ 312.25330 176.6
[M+K]+ 333.18264 175.6
[M-H]- 293.21220 177.8
[M+Na-2H]- 315.19415 174.0
[M]+ 294.21893 175.0
[M]- 294.22003 175.0
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

patents stripe