CID 42041

2-(butoxymethyl)furan

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCCCOCC1=CC=CO1

InChI

InChI=1S/C9H14O2/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7H,2-3,6,8H2,1H3

InChIKey

YPDABMXTZAZGFC-UHFFFAOYSA-N

Compound name

2-(butoxymethyl)furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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]+	155.10666	132.6
[M+Na]+	177.08860	139.9
[M-H]-	153.09210	136.6
[M+NH4]+	172.13320	154.2
[M+K]+	193.06254	140.2
[M+H-H2O]+	137.09664	127.3
[M+HCOO]-	199.09758	157.4
[M+CH3COO]-	213.11323	175.4
[M+Na-2H]-	175.07405	139.5
[M]+	154.09883	136.7
[M]-	154.09993	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe