CID 6857792

Avocadenofuran

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

C=CCCCCCCCCCCCC1=CC=CO1

InChI

InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2

InChIKey

KNKVJBRMGKXDGO-UHFFFAOYSA-N

Compound name

2-tridec-12-enylfuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 248.21402 Da
Monoisotopic Mass: 7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.221296	165.9
[M+Na]+	271.203238	170.1
[M-H]-	247.206744	168.4
[M+NH4]+	266.247843	183.6
[M+K]+	287.177178	167.2
[M+H-H2O]+	231.211280	159.1
[M+HCOO]-	293.212221	187.9
[M+CH3COO]-	307.227871	196.8
[M+Na-2H]-	269.188686	168.3
[M]+	248.21347142	170.7
[M]-	248.21456858	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe