CID 136082580

933734-43-1

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[3,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 123.07965 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	124.08693	124.7
[M+Na]+	146.06887	135.6
[M+NH4]+	141.11347	133.0
[M+K]+	162.04281	131.7
[M-H]-	122.07237	124.4
[M+Na-2H]-	144.05432	129.4
[M]+	123.07910	125.8
[M]-	123.08020	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe