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[5,4-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]+ 177.113476 137.2
[M+Na]+ 199.095418 149.2
[M-H]- 175.098924 138.6
[M+NH4]+ 194.140023 156.7
[M+K]+ 215.069358 145.5
[M+H-H2O]+ 159.103460 129.7
[M+HCOO]- 221.104401 160.4
[M+CH3COO]- 235.120051 151.2
[M+Na-2H]- 197.080866 144.2
[M]+ 176.10565142 139.2
[M]- 176.10674858 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.