CID 54688117

Chembl311442

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CN=CC2=C1C(=CC(=O)O2)O
InChI
InChI=1S/C8H5NO3/c10-6-3-8(11)12-7-4-9-2-1-5(6)7/h1-4,10H
InChIKey
WXCIAPJITMHGEG-UHFFFAOYSA-N
Compound name
4-hydroxypyrano[2,3-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

163.02695 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 126.5
[M+Na]+ 186.01617 137.6
[M-H]- 162.01967 130.1
[M+NH4]+ 181.06077 145.4
[M+K]+ 201.99011 136.1
[M+H-H2O]+ 146.02421 120.4
[M+HCOO]- 208.02515 148.5
[M+CH3COO]- 222.04080 173.5
[M+Na-2H]- 184.00162 137.6
[M]+ 163.02640 128.6
[M]- 163.02750 128.6
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.