CID 5369956

2-(1-pentenyl)furan

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CCC/C=C/C1=CC=CO1

InChI

InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h4-8H,2-3H2,1H3/b6-4+

InChIKey

LKSYSJTUBQSZBS-GQCTYLIASA-N

Compound name

2-[(E)-pent-1-enyl]furan

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 136.08882 Da
Monoisotopic Mass: 3.0
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]+	137.09610	128.3
[M+Na]+	159.07804	136.2
[M-H]-	135.08154	132.4
[M+NH4]+	154.12264	150.8
[M+K]+	175.05198	135.4
[M+H-H2O]+	119.08608	123.4
[M+HCOO]-	181.08702	153.2
[M+CH3COO]-	195.10267	171.9
[M+Na-2H]-	157.06349	135.3
[M]+	136.08827	130.2
[M]-	136.08937	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe