CID 5282705

15r-hede

Structural Information

Molecular Formula
C20H36O3
SMILES
CCCCC[C@H](/C=C/C=C\CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m1/s1
InChIKey
ZTRWPEHMGCHTIT-BABDSNKVSA-N
Compound name
(11Z,13E,15R)-15-hydroxyicosa-11,13-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

324.26645 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.273726 189.2
[M+Na]+ 347.255668 190.3
[M-H]- 323.259174 184.2
[M+NH4]+ 342.300273 202.0
[M+K]+ 363.229608 185.1
[M+H-H2O]+ 307.263710 182.6
[M+HCOO]- 369.264651 204.7
[M+CH3COO]- 383.280301 207.6
[M+Na-2H]- 345.241116 185.4
[M]+ 324.26590142 192.7
[M]- 324.26699858 192.7
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.