CID 20534

2-butylfuran

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CCCCC1=CC=CO1

InChI

InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

InChIKey

NWZIYQNUCXUJJJ-UHFFFAOYSA-N

Compound name

2-butylfuran

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 896
Patents: 124.08881 Da
Monoisotopic Mass: 3.1
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]+	125.09609	124.7
[M+Na]+	147.07803	136.8
[M+NH4]+	142.12263	134.2
[M+K]+	163.05197	132.1
[M-H]-	123.08153	128.1
[M+Na-2H]-	145.06348	131.0
[M]+	124.08826	127.4
[M]-	124.08936	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe