CID 59476245

3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CN2C(=C(C=N2)C=O)C=C1C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-5-7-4-10-11-2-1-6(9(13)14)3-8(7)11/h1-5H,(H,13,14)
InChIKey
HLAIFYPVBLQHGX-UHFFFAOYSA-N
Compound name
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.045116 135.4
[M+Na]+ 213.027058 146.7
[M-H]- 189.030564 137.1
[M+NH4]+ 208.071663 154.7
[M+K]+ 229.000998 143.7
[M+H-H2O]+ 173.035100 128.9
[M+HCOO]- 235.036041 158.0
[M+CH3COO]- 249.051691 178.9
[M+Na-2H]- 211.012506 142.2
[M]+ 190.03729142 138.5
[M]- 190.03838858 138.5
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