CID 119058184

20-hetre(1-)

Structural Information

Molecular Formula
C20H34O3
SMILES
C(CCCCO)CCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/b3-1-,6-4-,12-10-
InChIKey
LPMWIQNZVQKTBR-DYRGNDFMSA-N
Compound name
(5Z,8Z,11Z)-20-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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 187.0
[M+Na]+ 345.24002 188.6
[M-H]- 321.24352 182.0
[M+NH4]+ 340.28462 199.8
[M+K]+ 361.21396 182.4
[M+H-H2O]+ 305.24806 180.3
[M+HCOO]- 367.24900 203.7
[M+CH3COO]- 381.26465 205.4
[M+Na-2H]- 343.22547 184.5
[M]+ 322.25025 190.4
[M]- 322.25135 190.4
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.