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 189.0
[M+Na]+ 369.24002 193.7
[M-H]- 345.24352 190.9
[M+NH4]+ 364.28462 196.3
[M+K]+ 385.21396 187.0
[M+H-H2O]+ 329.24806 181.3
[M+HCOO]- 391.24900 206.3
[M+CH3COO]- 405.26465 214.1
[M+Na-2H]- 367.22547 187.4
[M]+ 346.25025 196.5
[M]- 346.25135 196.5
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.