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]+ 177.11348 137.7
[M+Na]+ 199.09542 150.6
[M-H]- 175.09892 139.5
[M+NH4]+ 194.14002 157.5
[M+K]+ 215.06936 146.9
[M+H-H2O]+ 159.10346 130.5
[M+HCOO]- 221.10440 160.9
[M+CH3COO]- 235.12005 152.0
[M+Na-2H]- 197.08087 143.9
[M]+ 176.10565 140.1
[M]- 176.10675 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.