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
3
Annotation Hits

0
References

13
Patents

344.23514 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 191.9
[M+Na]+ 367.22436 193.7
[M-H]- 343.22786 186.9
[M+NH4]+ 362.26896 203.9
[M+K]+ 383.19830 185.6
[M+H-H2O]+ 327.23240 185.5
[M+HCOO]- 389.23334 207.7
[M+CH3COO]- 403.24899 207.7
[M+Na-2H]- 365.20981 187.3
[M]+ 344.23459 193.1
[M]- 344.23569 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.