CID 88553636

(4z,7z,11z,13z,16z,19z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoic acid

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C/C=C\C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15-
InChIKey
DDCYKEYDTGCKAS-PMYRRKJZSA-N
Compound name
(4Z,7Z,11Z,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20
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

patents stripe