CID 288746

4h,5h-furo[3,2-c]pyridin-4-one

Structural Information

Molecular Formula

SMILES

C1=CNC(=O)C2=C1OC=C2

InChI

InChI=1S/C7H5NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)

InChIKey

FYNCIYHECMWXPK-UHFFFAOYSA-N

Compound name

5H-furo[3,2-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 272
Patents: 135.03203 Da
Monoisotopic Mass: 0.4
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]+	136.039306	119.2
[M+Na]+	158.021248	130.8
[M-H]-	134.024754	122.8
[M+NH4]+	153.065853	140.9
[M+K]+	173.995188	129.0
[M+H-H2O]+	118.029290	114.0
[M+HCOO]-	180.030231	143.5
[M+CH3COO]-	194.045881	134.9
[M+Na-2H]-	156.006696	129.8
[M]+	135.03148142	121.3
[M]-	135.03257858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe