CID 131751100

Avocadienofuran

Structural Information

Molecular Formula
C17H26O
SMILES
C=CCCCCCCCCC/C=C\C1=CC=CO1
InChI
InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-
InChIKey
MGNABOKOTWYILU-OWBHPGMISA-N
Compound name
2-[(1Z)-trideca-1,12-dienyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 164.6
[M+Na]+ 269.18758 174.9
[M+NH4]+ 264.23218 171.9
[M+K]+ 285.16152 167.7
[M-H]- 245.19108 167.0
[M+Na-2H]- 267.17303 168.1
[M]+ 246.19781 166.6
[M]- 246.19891 166.6
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.