CID 131839787

17,18-epoxy-11z,14z-eicosadienoic acid

Structural Information

Molecular Formula
C20H34O3
SMILES
CCC1C(O1)C/C=C\C/C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-
InChIKey
WKQIFAMQDFHXAL-HWXFIQLYSA-N
Compound name
(11Z,14Z)-16-(3-ethyloxiran-2-yl)hexadeca-11,14-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2508 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 182.7
[M+Na]+ 345.24002 187.6
[M-H]- 321.24352 184.9
[M+NH4]+ 340.28462 190.9
[M+K]+ 361.21396 182.5
[M+H-H2O]+ 305.24806 175.2
[M+HCOO]- 367.24900 200.3
[M+CH3COO]- 381.26465 211.1
[M+Na-2H]- 343.22547 182.1
[M]+ 322.25025 191.0
[M]- 322.25135 191.0
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.