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

1
Patents

191.02185 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02913 133.1
[M+Na]+ 214.01107 143.6
[M-H]- 190.01457 136.6
[M+NH4]+ 209.05567 150.5
[M+K]+ 229.98501 142.4
[M+H-H2O]+ 174.01911 126.7
[M+HCOO]- 236.02005 154.1
[M+CH3COO]- 250.03570 178.8
[M+Na-2H]- 211.99652 142.5
[M]+ 191.02130 135.7
[M]- 191.02240 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