CID 84652588

1h,4h,5h,6h,7h-pyrazolo[4,3-b]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC2=C(C(=NN2)C(=O)O)NC1
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-5-4(9-10-6)2-1-3-8-5/h8H,1-3H2,(H,9,10)(H,11,12)
InChIKey
CANSPPZTVXEOJH-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

167.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 135.2
[M+Na]+ 190.058688 142.4
[M-H]- 166.062194 131.5
[M+NH4]+ 185.103293 152.2
[M+K]+ 206.032628 138.8
[M+H-H2O]+ 150.066730 128.3
[M+HCOO]- 212.067671 149.3
[M+CH3COO]- 226.083321 169.4
[M+Na-2H]- 188.044136 139.6
[M]+ 167.06892142 129.0
[M]- 167.07001858 129.0
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