CID 45791993

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

Structural Information

Molecular Formula
C9H8N4
SMILES
CC1=NN(C2=C1C=C(C=N2)C#N)C
InChI
InChI=1S/C9H8N4/c1-6-8-3-7(4-10)5-11-9(8)13(2)12-6/h3,5H,1-2H3
InChIKey
DQTZQQJPTSRPFX-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
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0
References

0
Patents

172.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 136.9
[M+Na]+ 195.06411 151.0
[M+NH4]+ 190.10871 141.7
[M+K]+ 211.03805 142.9
[M-H]- 171.06761 130.7
[M+Na-2H]- 193.04956 141.0
[M]+ 172.07434 136.3
[M]- 172.07544 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.