CID 343390

Furo[3,4-c]pyridin-1(3h)-one

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1C2=C(C=CN=C2)C(=O)O1
InChI
InChI=1S/C7H5NO2/c9-7-6-1-2-8-3-5(6)4-10-7/h1-3H,4H2
InChIKey
GSVGNTLLELAQEF-UHFFFAOYSA-N
Compound name
3H-furo[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

135.03203 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.039306 121.0
[M+Na]+ 158.021248 131.0
[M-H]- 134.024754 125.3
[M+NH4]+ 153.065853 143.2
[M+K]+ 173.995188 130.5
[M+H-H2O]+ 118.029290 115.5
[M+HCOO]- 180.030231 144.0
[M+CH3COO]- 194.045881 136.3
[M+Na-2H]- 156.006696 130.2
[M]+ 135.03148142 122.0
[M]- 135.03257858 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

literature stripe

Patent stripe

patents stripe