CID 60209659

1h-pyrazolo[4,3-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=CC2=C(C=NN2)N=C1C#N
InChI
InChI=1S/C7H4N4/c8-3-5-1-2-6-7(10-5)4-9-11-6/h1-2,4H,(H,9,11)
InChIKey
NIVLQFQUYUXUGN-UHFFFAOYSA-N
Compound name
1H-pyrazolo[4,3-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

144.0436 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 126.7
[M+Na]+ 167.03282 139.1
[M-H]- 143.03632 125.3
[M+NH4]+ 162.07742 143.9
[M+K]+ 183.00676 134.2
[M+H-H2O]+ 127.04086 112.1
[M+HCOO]- 189.04180 144.5
[M+CH3COO]- 203.05745 138.6
[M+Na-2H]- 165.01827 135.2
[M]+ 144.04305 121.4
[M]- 144.04415 121.4
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