CID 14334002

Cis-9,10-epoxy-1,3z,6z-eicosatriene

Structural Information

Molecular Formula
C20H34O
SMILES
CCCCCCCCCCC1C(O1)C/C=C\C/C=C\C=C
InChI
InChI=1S/C20H34O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h4,6,8,13,15,19-20H,2-3,5,7,9-12,14,16-18H2,1H3/b8-6-,15-13-
InChIKey
BXFNNIGYLSZPIT-ZJABWGPNSA-N
Compound name
2-decyl-3-[(2Z,5Z)-octa-2,5,7-trienyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.26096 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 176.4
[M+Na]+ 313.25018 182.0
[M-H]- 289.25368 179.9
[M+NH4]+ 308.29478 186.8
[M+K]+ 329.22412 176.9
[M+H-H2O]+ 273.25822 168.7
[M+HCOO]- 335.25916 196.0
[M+CH3COO]- 349.27481 209.1
[M+Na-2H]- 311.23563 177.4
[M]+ 290.26041 184.2
[M]- 290.26151 184.2
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

patents stripe