CID 280738

4-methyl-3,7-dihydrofuro[2,3-b]pyridin-6(2h)-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=O)NC2=C1CCO2
InChI
InChI=1S/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4H,2-3H2,1H3,(H,9,10)
InChIKey
IVBKRUDIWDASEH-UHFFFAOYSA-N
Compound name
4-methyl-3,7-dihydro-2H-furo[2,3-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 126.8
[M+Na]+ 174.05254 136.9
[M-H]- 150.05604 130.0
[M+NH4]+ 169.09714 148.1
[M+K]+ 190.02648 135.2
[M+H-H2O]+ 134.06058 121.7
[M+HCOO]- 196.06152 147.9
[M+CH3COO]- 210.07717 171.5
[M+Na-2H]- 172.03799 134.3
[M]+ 151.06277 126.8
[M]- 151.06387 126.8
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

No patent data available for this compound.