CID 122391347

Chebi:133936

Structural Information

Molecular Formula
C22H34O3
SMILES
CC/C=C\CC1C(O1)C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C22H34O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,12,14-15,20-21H,2,4,9-11,13,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,14-3-,15-12-
InChIKey
QQYGVFSESLSOGB-JRGWTXQPSA-N
Compound name
(7Z,10Z,13Z)-15-[3-[(Z)-pent-2-enyl]oxiran-2-yl]pentadeca-7,10,13-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2508 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 184.9
[M+Na]+ 369.24002 193.8
[M+NH4]+ 364.28462 189.4
[M+K]+ 385.21396 187.9
[M-H]- 345.24352 191.1
[M+Na-2H]- 367.22547 186.8
[M]+ 346.25025 188.6
[M]- 346.25135 188.6
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

No patent data available for this compound.