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 193.5
[M+Na]+ 369.24002 194.9
[M-H]- 345.24352 188.4
[M+NH4]+ 364.28462 205.3
[M+K]+ 385.21396 187.4
[M+H-H2O]+ 329.24806 186.9
[M+HCOO]- 391.24900 209.0
[M+CH3COO]- 405.26465 209.2
[M+Na-2H]- 367.22547 188.8
[M]+ 346.25025 195.4
[M]- 346.25135 195.4
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.