CID 71299236

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

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C=NN2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-4-5-8-9(14)7-12-13-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
VUEOIIWQDOZFFL-UHFFFAOYSA-N
Compound name
tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

223.13208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 154.1
[M+Na]+ 246.121298 161.0
[M-H]- 222.124804 152.9
[M+NH4]+ 241.165903 170.6
[M+K]+ 262.095238 158.6
[M+H-H2O]+ 206.129340 146.8
[M+HCOO]- 268.130281 168.3
[M+CH3COO]- 282.145931 184.6
[M+Na-2H]- 244.106746 158.1
[M]+ 223.13153142 152.2
[M]- 223.13262858 152.2
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