CID 86856

Methyl tetrahydrofurfuryl ether

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

COCC1CCCO1

InChI

InChI=1S/C6H12O2/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3

InChIKey

IEOPZUMPHCZMCS-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1401
Patents: 116.08373 Da
Monoisotopic Mass: 0.5
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]+	117.09101	122.5
[M+Na]+	139.07295	128.9
[M-H]-	115.07645	126.2
[M+NH4]+	134.11755	145.4
[M+K]+	155.04689	130.5
[M+H-H2O]+	99.080990	117.7
[M+HCOO]-	161.08193	145.3
[M+CH3COO]-	175.09758	167.1
[M+Na-2H]-	137.05840	129.0
[M]+	116.08318	122.5
[M]-	116.08428	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.