CID 83851015

Tert-butyl 3-hydroxy-2h,4h,5h,6h,7h-pyrazolo[3,4-c]pyridine-6-carboxylate

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NNC2=O
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-7-8(6-14)12-13-9(7)15/h4-6H2,1-3H3,(H2,12,13,15)
InChIKey
DSAFVJWOGDRKKN-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

239.127 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.134276 156.8
[M+Na]+ 262.116218 164.3
[M-H]- 238.119724 154.6
[M+NH4]+ 257.160823 172.1
[M+K]+ 278.090158 161.0
[M+H-H2O]+ 222.124260 150.1
[M+HCOO]- 284.125201 169.8
[M+CH3COO]- 298.140851 184.8
[M+Na-2H]- 260.101666 159.7
[M]+ 239.12645142 154.2
[M]- 239.12754858 154.2
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

patents stripe