CID 22605322

459157-20-1

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1CC(=O)C2=CC(=NN2C1)C(=O)O
InChI
InChI=1S/C8H8N2O3/c11-7-2-1-3-10-6(7)4-5(9-10)8(12)13/h4H,1-3H2,(H,12,13)
InChIKey
BTXPQDNIJCRMTQ-UHFFFAOYSA-N
Compound name
4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

180.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 135.2
[M+Na]+ 203.042718 143.9
[M-H]- 179.046224 135.9
[M+NH4]+ 198.087323 154.6
[M+K]+ 219.016658 141.8
[M+H-H2O]+ 163.050760 128.8
[M+HCOO]- 225.051701 153.7
[M+CH3COO]- 239.067351 176.8
[M+Na-2H]- 201.028166 139.5
[M]+ 180.05295142 133.7
[M]- 180.05404858 133.7
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