CID 12421098

Furo[2,3-b]pyridine

Structural Information

Molecular Formula

SMILES

C1=CC2=C(N=C1)OC=C2

InChI

InChI=1S/C7H5NO/c1-2-6-3-5-9-7(6)8-4-1/h1-5H

InChIKey

RCFDIXKVOHJQPP-UHFFFAOYSA-N

Compound name

furo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5929
Patents: 119.03712 Da
Monoisotopic Mass: 1.6
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]+	120.044396	116.1
[M+Na]+	142.026338	127.0
[M-H]-	118.029844	120.7
[M+NH4]+	137.070943	139.0
[M+K]+	158.000278	126.3
[M+H-H2O]+	102.034380	110.5
[M+HCOO]-	164.035321	141.6
[M+CH3COO]-	178.050971	132.3
[M+Na-2H]-	140.011786	128.0
[M]+	119.03657142	118.9
[M]-	119.03766858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe