CID 137012574

2445785-36-2

Structural Information

Molecular Formula
C8H11N3O2
SMILES
COC(=O)C1=C2CCCNC2=NN1
InChI
InChI=1S/C8H11N3O2/c1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h2-4H2,1H3,(H2,9,10,11)
InChIKey
ZRUXSPNBFZSMQA-UHFFFAOYSA-N
Compound name
methyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 139.3
[M+Na]+ 204.07435 148.9
[M+NH4]+ 199.11895 145.8
[M+K]+ 220.04829 146.5
[M-H]- 180.07785 137.5
[M+Na-2H]- 202.05980 141.8
[M]+ 181.08458 139.7
[M]- 181.08568 139.7
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.