CID 2755850

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

Structural Information

Molecular Formula
C6H5N3
SMILES
C1=CC2=C(NN=C2)N=C1
InChI
InChI=1S/C6H5N3/c1-2-5-4-8-9-6(5)7-3-1/h1-4H,(H,7,8,9)
InChIKey
GVLRTOYGRNLSDW-UHFFFAOYSA-N
Compound name
1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

5170
Patents

119.04835 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 119.3
[M+Na]+ 142.03757 133.5
[M+NH4]+ 137.08217 128.2
[M+K]+ 158.01151 128.7
[M-H]- 118.04107 120.1
[M+Na-2H]- 140.02302 127.4
[M]+ 119.04780 121.4
[M]- 119.04890 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

literature stripe

Patent stripe

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