CID 280738

22385-34-8

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]+ 152.070596 126.8
[M+Na]+ 174.052538 136.9
[M-H]- 150.056044 130.0
[M+NH4]+ 169.097143 148.1
[M+K]+ 190.026478 135.2
[M+H-H2O]+ 134.060580 121.7
[M+HCOO]- 196.061521 147.9
[M+CH3COO]- 210.077171 171.5
[M+Na-2H]- 172.037986 134.3
[M]+ 151.06277142 126.8
[M]- 151.06386858 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.