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[5,4-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]+ 173.082166 133.7
[M+Na]+ 195.064108 147.3
[M-H]- 171.067614 134.0
[M+NH4]+ 190.108713 151.2
[M+K]+ 211.038048 142.9
[M+H-H2O]+ 155.072150 119.1
[M+HCOO]- 217.073091 152.3
[M+CH3COO]- 231.088741 146.2
[M+Na-2H]- 193.049556 140.4
[M]+ 172.07434142 131.4
[M]- 172.07543858 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.