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
Annotation Hits

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 133.7
[M+Na]+ 195.06411 147.3
[M-H]- 171.06761 134.0
[M+NH4]+ 190.10871 151.2
[M+K]+ 211.03805 142.9
[M+H-H2O]+ 155.07215 119.1
[M+HCOO]- 217.07309 152.3
[M+CH3COO]- 231.08874 146.2
[M+Na-2H]- 193.04956 140.4
[M]+ 172.07434 131.4
[M]- 172.07544 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.