CID 122391353

Chebi:133939

Structural Information

Molecular Formula
C22H34O3
SMILES
CCC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O
InChI
InChI=1S/C22H34O3/c1-2-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)25/h3-4,7-10,13-16,21,23H,2,5-6,11-12,17-20H2,1H3,(H,24,25)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKey
KFGLFEVIRKTJEW-MBYQGORISA-N
Compound name
(4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosa-4,7,10,13,16-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 194.2
[M+Na]+ 369.24002 199.6
[M+NH4]+ 364.28462 192.1
[M+K]+ 385.21396 192.1
[M-H]- 345.24352 189.5
[M+Na-2H]- 367.22547 191.1
[M]+ 346.25025 192.8
[M]- 346.25135 192.8
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.