CID 96630084

1,3,6-trimethyl-1h-pyrazolo[3,4-b]pyridin-5-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N4
SMILES
CC1=C(C=C2C(=NN(C2=N1)C)C)N
InChI
InChI=1S/C9H12N4/c1-5-7-4-8(10)6(2)11-9(7)13(3)12-5/h4H,10H2,1-3H3
InChIKey
ZIYKNPOUKOWHFS-UHFFFAOYSA-N
Compound name
1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 137.7
[M+Na]+ 199.095418 150.6
[M-H]- 175.098924 139.5
[M+NH4]+ 194.140023 157.5
[M+K]+ 215.069358 146.9
[M+H-H2O]+ 159.103460 130.5
[M+HCOO]- 221.104401 160.9
[M+CH3COO]- 235.120051 152.0
[M+Na-2H]- 197.080866 143.9
[M]+ 176.10565142 140.1
[M]- 176.10674858 140.1
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

No patent data available for this compound.