CID 117476

2-methoxyfuran

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

COC1=CC=CO1

InChI

InChI=1S/C5H6O2/c1-6-5-3-2-4-7-5/h2-4H,1H3

InChIKey

OXCGHDNCMSOEBZ-UHFFFAOYSA-N

Compound name

2-methoxyfuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 1070
Patents: 98.03678 Da
Monoisotopic Mass: 1.4
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]+	99.044056	113.3
[M+Na]+	121.025998	122.4
[M-H]-	97.029504	118.1
[M+NH4]+	116.070603	137.2
[M+K]+	136.999938	123.8
[M+H-H2O]+	81.034040	108.9
[M+HCOO]-	143.034981	139.5
[M+CH3COO]-	157.050631	163.3
[M+Na-2H]-	119.011446	122.6
[M]+	98.03623142	116.0
[M]-	98.03732858	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe