CID 11674605

13(14)-epdpe

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C/C=C\CC1C(O1)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,10-15,20-21H,2,5,8-9,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,14-11-,15-12-
InChIKey
DCFKVKFLEPMEGT-UQZHZJRSSA-N
Compound name
(4Z,7Z,10Z)-12-[3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]dodeca-4,7,10-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

344.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 184.4
[M+Na]+ 367.22436 193.3
[M+NH4]+ 362.26896 188.6
[M+K]+ 383.19830 187.3
[M-H]- 343.22786 190.4
[M+Na-2H]- 365.20981 186.2
[M]+ 344.23459 187.9
[M]- 344.23569 187.9
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

patents stripe