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]+ 150.05496 125.6
[M+Na]+ 172.03690 136.1
[M-H]- 148.04040 130.1
[M+NH4]+ 167.08150 147.6
[M+K]+ 188.01084 135.3
[M+H-H2O]+ 132.04494 120.2
[M+HCOO]- 194.04588 148.3
[M+CH3COO]- 208.06153 174.0
[M+Na-2H]- 170.02235 133.6
[M]+ 149.04713 127.4
[M]- 149.04823 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.