CID 12514046

2h,3h-furo[2,3-b]pyridin-3-one

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1C(=O)C2=C(O1)N=CC=C2
InChI
InChI=1S/C7H5NO2/c9-6-4-10-7-5(6)2-1-3-8-7/h1-3H,4H2
InChIKey
ZJPIJNDXTHFFMU-UHFFFAOYSA-N
Compound name
furo[2,3-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

135.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 121.0
[M+Na]+ 158.02125 131.0
[M-H]- 134.02475 125.3
[M+NH4]+ 153.06585 143.2
[M+K]+ 173.99519 130.5
[M+H-H2O]+ 118.02929 115.5
[M+HCOO]- 180.03023 144.0
[M+CH3COO]- 194.04588 136.3
[M+Na-2H]- 156.00670 130.2
[M]+ 135.03148 122.0
[M]- 135.03258 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe