CID 11653103

7(8)-epdpe

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
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

No literature data available for this compound.

Patent stripe

patents stripe