CID 19373041

1256825-19-0

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C=CC=N2)C(=O)CO1
InChI
InChI=1S/C8H7NO2/c10-8-5-11-4-7-6(8)2-1-3-9-7/h1-3H,4-5H2
InChIKey
XOOSESATQHIQCT-UHFFFAOYSA-N
Compound name
8H-pyrano[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

149.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 125.5
[M+Na]+ 172.036898 134.0
[M-H]- 148.040404 129.3
[M+NH4]+ 167.081503 145.1
[M+K]+ 188.010838 133.3
[M+H-H2O]+ 132.044940 119.0
[M+HCOO]- 194.045881 145.9
[M+CH3COO]- 208.061531 173.3
[M+Na-2H]- 170.022346 135.8
[M]+ 149.04713142 124.6
[M]- 149.04822858 124.6
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

patents stripe