CID 12969140

26919-04-0

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 126.9
[M+Na]+ 172.03690 140.2
[M+NH4]+ 167.08150 136.0
[M+K]+ 188.01084 136.2
[M-H]- 148.04040 129.7
[M+Na-2H]- 170.02235 132.3
[M]+ 149.04713 129.5
[M]- 149.04823 129.5
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.