CID 6439735

14-hydroxydocosahexaenoic acid

Structural Information

Molecular Formula
C22H32O3
SMILES
CCCCCCCCC(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-11,13-14,16-17,19-21,23H,2-5,12,15,18H2,1H3,(H,24,25)/b8-6+,9-7+,13-10+,14-11+,19-16+,20-17+
InChIKey
RLCOKXQEBHOCJC-HRHXGXCGSA-N
Compound name
(2E,4E,6E,8E,10E,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

144
Patents

344.23514 Da
Monoisotopic Mass

6.6
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