CID 6443815

5,6-dehydroarachidonic acid

Structural Information

Molecular Formula
C20H30O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\CC#CCCCC(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKey
GIOQWSLKUVKKAO-QNEBEIHSSA-N
Compound name
(8Z,11Z,14Z)-icosa-8,11,14-trien-5-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

302.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 177.4
[M+Na]+ 325.21380 185.1
[M+NH4]+ 320.25840 178.6
[M+K]+ 341.18774 174.1
[M-H]- 301.21730 167.2
[M+Na-2H]- 323.19925 174.4
[M]+ 302.22403 174.4
[M]- 302.22513 174.4
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.