CID 55285412

1h,2h,3h,4h,5h,6h,7h-pyrazolo[3,4-c]pyridin-3-one dihydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CNCC2=C1C(=O)NN2
InChI
InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)
InChIKey
UPMMUUFLHUEUKP-UHFFFAOYSA-N
Compound name
1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.9
[M+Na]+ 162.06377 138.1
[M+NH4]+ 157.10837 135.0
[M+K]+ 178.03771 135.2
[M-H]- 138.06727 126.3
[M+Na-2H]- 160.04922 131.1
[M]+ 139.07400 128.4
[M]- 139.07510 128.4
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

patents stripe