CID 21952856

871792-61-9

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CNCC2=C1C=NN2
InChI
InChI=1S/C6H9N3/c1-2-7-4-6-5(1)3-8-9-6/h3,7H,1-2,4H2,(H,8,9)
InChIKey
KFOAQYYCEAGMEF-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

805
Patents

123.07965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 124.7
[M+Na]+ 146.06887 132.0
[M-H]- 122.07237 121.9
[M+NH4]+ 141.11347 144.1
[M+K]+ 162.04281 128.6
[M+H-H2O]+ 106.07691 117.4
[M+HCOO]- 168.07785 141.0
[M+CH3COO]- 182.09350 136.5
[M+Na-2H]- 144.05432 131.8
[M]+ 123.07910 118.0
[M]- 123.08020 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