CID 132282529

Chebi:133798

Structural Information

Molecular Formula
C22H34O4
SMILES
CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCCCC(=O)O)OO
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6-7,10,12-13,15-16,19,21,25H,2,5,8-9,11,14,17-18,20H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,15-12-,19-16+/t21-/m0/s1
InChIKey
XHMXFEYXNLBDKE-FRAVRKMPSA-N
Compound name
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

362.2457 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 196.1
[M+Na]+ 385.23492 197.3
[M-H]- 361.23842 190.9
[M+NH4]+ 380.27952 193.6
[M+K]+ 401.20886 190.5
[M+H-H2O]+ 345.24296 189.2
[M+HCOO]- 407.24390 211.8
[M+CH3COO]- 421.25955 211.2
[M+Na-2H]- 383.22037 191.5
[M]+ 362.24515 199.4
[M]- 362.24625 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.