CID 11638767

10(11)-epdpe

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C/C=C\C/C=C\CC1C(O1)C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-11-14-17-20-21(25-20)18-15-12-9-10-13-16-19-22(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
YYZNJWZRJUGQCW-UQZHZJRSSA-N
Compound name
(4Z,7Z)-9-[3-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]oxiran-2-yl]nona-4,7-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

344.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.242416 188.0
[M+Na]+ 367.224358 193.1
[M-H]- 343.227864 189.9
[M+NH4]+ 362.268963 195.3
[M+K]+ 383.198298 185.8
[M+H-H2O]+ 327.232400 180.4
[M+HCOO]- 389.233341 205.5
[M+CH3COO]- 403.248991 212.7
[M+Na-2H]- 365.209806 186.4
[M]+ 344.23459142 194.7
[M]- 344.23568858 194.7
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