CID 139489555

6-(1-cyanocyclopropyl)pyrazolo(1,5-a)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1CC1(C#N)C2=CN3C(=CC(=N3)C(=O)O)C=C2
InChI
InChI=1S/C12H9N3O2/c13-7-12(3-4-12)8-1-2-9-5-10(11(16)17)14-15(9)6-8/h1-2,5-6H,3-4H2,(H,16,17)
InChIKey
FEAVUVSYDPVEPE-UHFFFAOYSA-N
Compound name
6-(1-cyanocyclopropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

227.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 152.6
[M+Na]+ 250.058688 170.7
[M-H]- 226.062194 158.1
[M+NH4]+ 245.103293 167.3
[M+K]+ 266.032628 161.2
[M+H-H2O]+ 210.066730 142.0
[M+HCOO]- 272.067671 171.7
[M+CH3COO]- 286.083321 165.2
[M+Na-2H]- 248.044136 159.4
[M]+ 227.06892142 153.3
[M]- 227.07001858 153.3
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