CID 90471631

Isoavocadienofuran

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

C=CCCCCCCCC/C=C/CC1=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/h2,11-13,15-16H,1,3-10,14H2/b12-11+

InChIKey

MSYUAPLTGWCVMJ-VAWYXSNFSA-N

Compound name

2-[(2E)-trideca-2,12-dienyl]furan

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 246.19836 Da
Monoisotopic Mass: 6.6
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]+	247.205636	164.7
[M+Na]+	269.187578	169.4
[M-H]-	245.191084	167.3
[M+NH4]+	264.232183	182.6
[M+K]+	285.161518	165.9
[M+H-H2O]+	229.195620	158.1
[M+HCOO]-	291.196561	187.0
[M+CH3COO]-	305.212211	195.3
[M+Na-2H]-	267.173026	167.2
[M]+	246.19781142	168.8
[M]-	246.19890858	168.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.