CID 171118763

11,17-dihdohe

Structural Information

Molecular Formula
C22H32O4
SMILES
CC/C=C\C[C@@H](/C=C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCC(=O)O)O)O
InChI
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-9-13-18-21(24)16-11-7-5-4-6-8-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKey
KYEQLLXAHDEAMP-XGTWDWJNSA-N
Compound name
(4Z,7Z,9E,11S,13Z,15E,17S,19Z)-11,17-dihydroxydocosa-4,7,9,13,15,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 195.5
[M+Na]+ 383.21929 196.5
[M-H]- 359.22279 189.1
[M+NH4]+ 378.26389 189.7
[M+K]+ 399.19323 188.8
[M+H-H2O]+ 343.22733 189.2
[M+HCOO]- 405.22827 199.1
[M+CH3COO]- 419.24392 208.2
[M+Na-2H]- 381.20474 189.2
[M]+ 360.22952 195.5
[M]- 360.23062 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.