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]+ 395.242806 201.4
[M+Na]+ 417.224748 201.8
[M-H]- 393.228254 192.5
[M+NH4]+ 412.269353 198.2
[M+K]+ 433.198688 195.8
[M+H-H2O]+ 377.232790 194.4
[M+HCOO]- 439.233731 205.7
[M+CH3COO]- 453.249381 213.7
[M+Na-2H]- 415.210196 195.4
[M]+ 394.23498142 195.5
[M]- 394.23607858 195.5
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.