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]+ 228.07675 152.6
[M+Na]+ 250.05869 170.7
[M-H]- 226.06219 158.1
[M+NH4]+ 245.10329 167.3
[M+K]+ 266.03263 161.2
[M+H-H2O]+ 210.06673 142.0
[M+HCOO]- 272.06767 171.7
[M+CH3COO]- 286.08332 165.2
[M+Na-2H]- 248.04414 159.4
[M]+ 227.06892 153.3
[M]- 227.07002 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