CID 7127829

Tert-butyl 6-fluoro-1h-pyrazolo[3,4-b]pyridine-3-carboxylate

Structural Information

Molecular Formula
C11H12FN3O2
SMILES
CC(C)(C)OC(=O)C1=C2C=CC(=NC2=NN1)F
InChI
InChI=1S/C11H12FN3O2/c1-11(2,3)17-10(16)8-6-4-5-7(12)13-9(6)15-14-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey
INGAFDNQIOIZHC-UHFFFAOYSA-N
Compound name
tert-butyl 6-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

237.09135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09863 152.1
[M+Na]+ 260.08057 163.0
[M-H]- 236.08407 151.1
[M+NH4]+ 255.12517 168.5
[M+K]+ 276.05451 159.4
[M+H-H2O]+ 220.08861 144.2
[M+HCOO]- 282.08955 169.6
[M+CH3COO]- 296.10520 188.2
[M+Na-2H]- 258.06602 157.8
[M]+ 237.09080 153.9
[M]- 237.09190 153.9
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