CID 55264877

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

Structural Information

Molecular Formula
C8H6N4
SMILES
CN1C2=C(C=C(C=N2)C#N)C=N1
InChI
InChI=1S/C8H6N4/c1-12-8-7(5-11-12)2-6(3-9)4-10-8/h2,4-5H,1H3
InChIKey
BFPMVMVRDDHKCN-UHFFFAOYSA-N
Compound name
1-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

158.05925 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 129.5
[M+Na]+ 181.04847 142.7
[M-H]- 157.05197 129.5
[M+NH4]+ 176.09307 147.2
[M+K]+ 197.02241 138.4
[M+H-H2O]+ 141.05651 114.7
[M+HCOO]- 203.05745 148.4
[M+CH3COO]- 217.07310 142.0
[M+Na-2H]- 179.03392 137.3
[M]+ 158.05870 126.5
[M]- 158.05980 126.5
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

patents stripe