CID 19422225

5-butoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₂O₃

SMILES

CCCCOC1=CC=C(O1)C=O

InChI

InChI=1S/C9H12O3/c1-2-3-6-11-9-5-4-8(7-10)12-9/h4-5,7H,2-3,6H2,1H3

InChIKey

MKOPEOKHXIVNMO-UHFFFAOYSA-N

Compound name

5-butoxyfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 168.07864 Da
Monoisotopic Mass: 2.3
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]+	169.08592	134.5
[M+Na]+	191.06786	145.8
[M+NH4]+	186.11246	142.3
[M+K]+	207.04180	142.0
[M-H]-	167.07136	136.5
[M+Na-2H]-	189.05331	139.2
[M]+	168.07809	136.5
[M]-	168.07919	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe