CID 6857797

Avocadynofuran

Structural Information

Molecular Formula
C17H26O
SMILES
C#CCCCCCCCCCCCC1=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/h1,13,15-16H,3-12,14H2
InChIKey
ONYOTXAYIZRIPJ-UHFFFAOYSA-N
Compound name
2-tridec-12-ynylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

246.19836 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 160.5
[M+Na]+ 269.18758 170.9
[M+NH4]+ 264.23218 164.7
[M+K]+ 285.16152 161.2
[M-H]- 245.19108 155.0
[M+Na-2H]- 267.17303 161.6
[M]+ 246.19781 159.6
[M]- 246.19891 159.6
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

patents stripe