CID 45792623

{1,3-dimethyl-1h-pyrazolo[3,4-b]pyridin-5-yl}methanamine

Structural Information

Molecular Formula
C9H12N4
SMILES
CC1=NN(C2=C1C=C(C=N2)CN)C
InChI
InChI=1S/C9H12N4/c1-6-8-3-7(4-10)5-11-9(8)13(2)12-6/h3,5H,4,10H2,1-2H3
InChIKey
QBNWQDQVJPAFGA-UHFFFAOYSA-N
Compound name
(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 137.2
[M+Na]+ 199.09542 149.2
[M-H]- 175.09892 138.6
[M+NH4]+ 194.14002 156.7
[M+K]+ 215.06936 145.5
[M+H-H2O]+ 159.10346 129.7
[M+HCOO]- 221.10440 160.4
[M+CH3COO]- 235.12005 151.2
[M+Na-2H]- 197.08087 144.2
[M]+ 176.10565 139.2
[M]- 176.10675 139.2
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.