CID 119058181

19-hetre(1-)

Structural Information

Molecular Formula
C20H34O3
SMILES
CC(CCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H34O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,10,12,19,21H,2,7-9,11,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,12-10-
InChIKey
GXGFNSDOYGEKLT-OFROGHSZSA-N
Compound name
(5Z,8Z,11Z)-19-hydroxyicosa-5,8,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 187.1
[M+Na]+ 345.24002 192.8
[M+NH4]+ 340.28462 190.4
[M+K]+ 361.21396 186.0
[M-H]- 321.24352 183.1
[M+Na-2H]- 343.22547 184.8
[M]+ 322.25025 186.1
[M]- 322.25135 186.1
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

No patent data available for this compound.