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: 28
Patents: 180.0535 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.06078	135.2
[M+Na]+	203.04272	143.9
[M-H]-	179.04622	135.9
[M+NH4]+	198.08732	154.6
[M+K]+	219.01666	141.8
[M+H-H2O]+	163.05076	128.8
[M+HCOO]-	225.05170	153.7
[M+CH3COO]-	239.06735	176.8
[M+Na-2H]-	201.02817	139.5
[M]+	180.05295	133.7
[M]-	180.05405	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe