CID 91820284

9,10-epoxy-10,12z-octadecadienoic acid

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCC/C=C\C=C/1\C(O1)CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13-
InChIKey
LVVCDOSOKGYQFY-XCRWTIQCSA-N
Compound name
8-[(3Z)-3-[(Z)-oct-2-enylidene]oxiran-2-yl]octanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

294.21948 Da
Monoisotopic Mass

5.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.