CID 10426436

20-hede

Structural Information

Molecular Formula
C20H36O3
SMILES
C(CCC/C=C\CCCCC(=O)O)CCC/C=C\CCCCO
InChI
InChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h8-11,21H,1-7,12-19H2,(H,22,23)/b10-8-,11-9-
InChIKey
RYHYNNWEPYGEEH-WGEIWTTOSA-N
Compound name
(6Z,15Z)-20-hydroxyicosa-6,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

38
Patents

324.26645 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27373 188.4
[M+Na]+ 347.25567 189.6
[M-H]- 323.25917 183.3
[M+NH4]+ 342.30027 201.2
[M+K]+ 363.22961 184.0
[M+H-H2O]+ 307.26371 181.6
[M+HCOO]- 369.26465 204.9
[M+CH3COO]- 383.28030 206.8
[M+Na-2H]- 345.24112 185.8
[M]+ 324.26590 192.5
[M]- 324.26700 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe