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

2
Patents

360.23007 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.237346 194.5
[M+Na]+ 383.219288 196.2
[M-H]- 359.222794 189.5
[M+NH4]+ 378.263893 192.0
[M+K]+ 399.193228 188.7
[M+H-H2O]+ 343.227330 187.8
[M+HCOO]- 405.228271 210.5
[M+CH3COO]- 419.243921 209.8
[M+Na-2H]- 381.204736 190.0
[M]+ 360.22952142 197.1
[M]- 360.23061858 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

patents stripe