CID 72213689

1260672-28-3

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C(=O)CO1)N=CC=C2
InChI
InChI=1S/C8H7NO2/c10-7-5-11-4-6-2-1-3-9-8(6)7/h1-3H,4-5H2
InChIKey
SQCJHRGTPQJSRE-UHFFFAOYSA-N
Compound name
5H-pyrano[4,3-b]pyridin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 125.5
[M+Na]+ 172.03690 134.0
[M-H]- 148.04040 129.3
[M+NH4]+ 167.08150 145.1
[M+K]+ 188.01084 133.3
[M+H-H2O]+ 132.04494 119.0
[M+HCOO]- 194.04588 145.9
[M+CH3COO]- 208.06153 173.3
[M+Na-2H]- 170.02235 135.8
[M]+ 149.04713 124.6
[M]- 149.04823 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

No patent data available for this compound.