CID 819439

Furo[3,4-b]pyridin-5(7h)-one

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1C2=C(C=CC=N2)C(=O)O1
InChI
InChI=1S/C7H5NO2/c9-7-5-2-1-3-8-6(5)4-10-7/h1-3H,4H2
InChIKey
YSJHADWSLVFGGT-UHFFFAOYSA-N
Compound name
7H-furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

135.03203 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 122.7
[M+Na]+ 158.02125 135.8
[M+NH4]+ 153.06585 131.9
[M+K]+ 173.99519 131.9
[M-H]- 134.02475 125.5
[M+Na-2H]- 156.00670 128.5
[M]+ 135.03148 125.3
[M]- 135.03258 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe