CID 4581212

2-(butoxymethyl)tetrahydrofuran

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CCCCOCC1CCCO1

InChI

InChI=1S/C9H18O2/c1-2-3-6-10-8-9-5-4-7-11-9/h9H,2-8H2,1H3

InChIKey

PGZISVXTYZWYPK-UHFFFAOYSA-N

Compound name

2-(butoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 355
Patents: 158.13068 Da
Monoisotopic Mass: 1.7
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]+	159.13796	136.7
[M+Na]+	181.11990	141.9
[M-H]-	157.12340	139.9
[M+NH4]+	176.16450	157.9
[M+K]+	197.09384	142.6
[M+H-H2O]+	141.12794	131.3
[M+HCOO]-	203.12888	158.5
[M+CH3COO]-	217.14453	176.2
[M+Na-2H]-	179.10535	141.6
[M]+	158.13013	137.8
[M]-	158.13123	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe