CID 136082580

1h,4h,5h,6h,7h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CC2=C(NC1)NN=C2
InChI
InChI=1S/C6H9N3/c1-2-5-4-8-9-6(5)7-3-1/h4H,1-3H2,(H2,7,8,9)
InChIKey
NTAKFWAOAWPPMJ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

123.07965 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 124.7
[M+Na]+ 146.068868 132.0
[M-H]- 122.072374 121.9
[M+NH4]+ 141.113473 144.1
[M+K]+ 162.042808 128.6
[M+H-H2O]+ 106.076910 117.4
[M+HCOO]- 168.077851 141.0
[M+CH3COO]- 182.093501 136.5
[M+Na-2H]- 144.054316 131.8
[M]+ 123.07910142 118.0
[M]- 123.08019858 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe