CID 131769807

Dtxsid00694009

Structural Information

Molecular Formula
C22H32O3
SMILES
CCC(/C=C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O
InChI
InChI=1S/C22H32O3/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/h3-4,7-10,13-17,19,21,23H,2,5-6,11-12,18,20H2,1H3,(H,24,25)/b4-3-,9-7-,10-8-,15-13+,16-14-,19-17+
InChIKey
YUZXOJOCNGKDNI-GZTWONMCSA-N
Compound name
(4Z,7Z,10Z,13Z,16E,18E)-20-hydroxydocosa-4,7,10,13,16,18-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.242416 191.9
[M+Na]+ 367.224358 193.7
[M-H]- 343.227864 186.9
[M+NH4]+ 362.268963 203.9
[M+K]+ 383.198298 185.6
[M+H-H2O]+ 327.232400 185.5
[M+HCOO]- 389.233341 207.7
[M+CH3COO]- 403.248991 207.7
[M+Na-2H]- 365.209806 187.3
[M]+ 344.23459142 193.1
[M]- 344.23568858 193.1
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.