CID 47002169

3-methyl-1h-pyrazolo[3,4-b]pyridin-5-amine

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=C2C=C(C=NC2=NN1)N
InChI
InChI=1S/C7H8N4/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,8H2,1H3,(H,9,10,11)
InChIKey
YMIOCQRPGZZJIL-UHFFFAOYSA-N
Compound name
3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

148.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 128.0
[M+Na]+ 171.06411 139.6
[M-H]- 147.06761 128.0
[M+NH4]+ 166.10871 147.6
[M+K]+ 187.03805 135.5
[M+H-H2O]+ 131.07215 120.9
[M+HCOO]- 193.07309 150.4
[M+CH3COO]- 207.08874 141.8
[M+Na-2H]- 169.04956 136.4
[M]+ 148.07434 127.1
[M]- 148.07544 127.1
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

patents stripe