CID 122391316

10-hpdohe(1-)

Structural Information

Molecular Formula
C22H32O4
SMILES
CC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CCC(=O)O)OO
InChI
InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-12-15-18-21(26-25)19-16-13-10-11-14-17-20-22(23)24/h3-4,6-7,9,11-16,18,21,25H,2,5,8,10,17,19-20H2,1H3,(H,23,24)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKey
YBZVZSNFGOPPCL-SKSHMZPZSA-N
Compound name
(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 194.5
[M+Na]+ 383.21929 196.2
[M-H]- 359.22279 189.5
[M+NH4]+ 378.26389 192.0
[M+K]+ 399.19323 188.7
[M+H-H2O]+ 343.22733 187.8
[M+HCOO]- 405.22827 210.5
[M+CH3COO]- 419.24392 209.8
[M+Na-2H]- 381.20474 190.0
[M]+ 360.22952 197.1
[M]- 360.23062 197.1
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.