CID 122391281

Chebi:133950

Structural Information

Molecular Formula
C22H34O6
SMILES
CC/C=C\CC(/C=C/C=C\C=C/C(C/C=C\CCCCCC(=O)O)OO)OO
InChI
InChI=1S/C22H34O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h3,6,8-13,17-18,20-21,25-26H,2,4-5,7,14-16,19H2,1H3,(H,23,24)/b9-8-,10-3-,11-6-,17-12+,18-13-
InChIKey
CLKAMUBRHDJOAX-OKNVVHAFSA-N
Compound name
(7Z,11Z,13Z,15E,19Z)-10,17-dihydroperoxydocosa-7,11,13,15,19-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.23553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24281 201.6
[M+Na]+ 417.22475 204.6
[M+NH4]+ 412.26935 201.2
[M+K]+ 433.19869 201.6
[M-H]- 393.22825 195.0
[M+Na-2H]- 415.21020 196.3
[M]+ 394.23498 199.3
[M]- 394.23608 199.3
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.