CID 12826106

Furo[2,3-c]pyridine-7(6h)-one

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CNC(=O)C2=C1C=CO2
InChI
InChI=1S/C7H5NO2/c9-7-6-5(1-3-8-7)2-4-10-6/h1-4H,(H,8,9)
InChIKey
SHSNAKRNZGOTJL-UHFFFAOYSA-N
Compound name
6H-furo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

135.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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