CID 122391335

Chebi:133900

Structural Information

Molecular Formula
C20H32O6
SMILES
CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)OO)OO
InChI
InChI=1S/C20H32O6/c1-2-3-12-15-18(25-23)19(26-24)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-10,13,16,18-19,23-24H,2-3,5,11-12,14-15,17H2,1H3,(H,21,22)/b6-4-,9-7-,10-8+,16-13+/t18-,19+/m0/s1
InChIKey
USYFDKIQMRDNHC-PEPUZGFWSA-N
Compound name
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroperoxyicosa-5,8,10,12-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21988 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.227156 194.2
[M+Na]+ 391.209098 195.0
[M-H]- 367.212604 187.9
[M+NH4]+ 386.253703 192.8
[M+K]+ 407.183038 190.1
[M+H-H2O]+ 351.217140 187.4
[M+HCOO]- 413.218081 200.5
[M+CH3COO]- 427.233731 209.2
[M+Na-2H]- 389.194546 189.0
[M]+ 368.21933142 197.9
[M]- 368.22042858 197.9
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.