CID 12969140

7-methyl-5h,7h-furo[3,4-b]pyridin-5-one

Structural Information

Molecular Formula
C8H7NO2
SMILES
CC1C2=C(C=CC=N2)C(=O)O1
InChI
InChI=1S/C8H7NO2/c1-5-7-6(8(10)11-5)3-2-4-9-7/h2-5H,1H3
InChIKey
WCBNMIZQIWRCCE-UHFFFAOYSA-N
Compound name
7-methyl-7H-furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 125.6
[M+Na]+ 172.036898 136.1
[M-H]- 148.040404 130.1
[M+NH4]+ 167.081503 147.6
[M+K]+ 188.010838 135.3
[M+H-H2O]+ 132.044940 120.2
[M+HCOO]- 194.045881 148.3
[M+CH3COO]- 208.061531 174.0
[M+Na-2H]- 170.022346 133.6
[M]+ 149.04713142 127.4
[M]- 149.04822858 127.4
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

No patent data available for this compound.