CID 7131393

1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-amine

Structural Information

Molecular Formula
C9H12N4
SMILES
CC(C)N1C2=NC=C(C=C2C=N1)N
InChI
InChI=1S/C9H12N4/c1-6(2)13-9-7(4-12-13)3-8(10)5-11-9/h3-6H,10H2,1-2H3
InChIKey
PMEOZFOGPJEHHE-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

176.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 137.3
[M+Na]+ 199.09542 148.0
[M-H]- 175.09892 138.4
[M+NH4]+ 194.14002 156.4
[M+K]+ 215.06936 144.8
[M+H-H2O]+ 159.10346 129.6
[M+HCOO]- 221.10440 159.5
[M+CH3COO]- 235.12005 150.7
[M+Na-2H]- 197.08087 143.9
[M]+ 176.10565 138.3
[M]- 176.10675 138.3
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