CID 17925794

5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CNC(=O)C2=C1C=NN2
InChI
InChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)3-8-9-5/h3H,1-2H2,(H,7,10)(H,8,9)
InChIKey
XZMVYWXGZUMIFK-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrazolo[3,4-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

137.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 127.3
[M+Na]+ 160.04813 138.1
[M+NH4]+ 155.09273 134.8
[M+K]+ 176.02207 134.8
[M-H]- 136.05163 126.3
[M+Na-2H]- 158.03358 131.1
[M]+ 137.05836 128.1
[M]- 137.05946 128.1
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