CID 122156823

4-oxo-4h-pyrano[2,3-c]pyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1=CN=CC2=C1C(=O)C=C(O2)C(=O)O
InChI
InChI=1S/C9H5NO4/c11-6-3-7(9(12)13)14-8-4-10-2-1-5(6)8/h1-4H,(H,12,13)
InChIKey
PQYYMLRFQVGPBZ-UHFFFAOYSA-N
Compound name
4-oxopyrano[2,3-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.02185 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.029126 133.1
[M+Na]+ 214.011068 143.6
[M-H]- 190.014574 136.6
[M+NH4]+ 209.055673 150.5
[M+K]+ 229.985008 142.4
[M+H-H2O]+ 174.019110 126.7
[M+HCOO]- 236.020051 154.1
[M+CH3COO]- 250.035701 178.8
[M+Na-2H]- 211.996516 142.5
[M]+ 191.02130142 135.7
[M]- 191.02239858 135.7
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