CID 136308590

3-methyl-1h,4h,5h,6h,7h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H11N3
SMILES
CC1=C2CCCNC2=NN1
InChI
InChI=1S/C7H11N3/c1-5-6-3-2-4-8-7(6)10-9-5/h2-4H2,1H3,(H2,8,9,10)
InChIKey
WWFROMYBLJVBHD-UHFFFAOYSA-N
Compound name
3-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 129.7
[M+Na]+ 160.084508 137.5
[M-H]- 136.088014 127.1
[M+NH4]+ 155.129113 148.9
[M+K]+ 176.058448 133.8
[M+H-H2O]+ 120.092550 122.5
[M+HCOO]- 182.093491 145.7
[M+CH3COO]- 196.109141 141.4
[M+Na-2H]- 158.069956 135.6
[M]+ 137.09474142 123.8
[M]- 137.09583858 123.8
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