CID 44369476

Ethyl 3-(6-chloro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C15H19ClN2O3
SMILES
CCOC(=O)N1C2CCC1CC(C2)(C3=CN=C(C=C3)Cl)O
InChI
InChI=1S/C15H19ClN2O3/c1-2-21-14(19)18-11-4-5-12(18)8-15(20,7-11)10-3-6-13(16)17-9-10/h3,6,9,11-12,20H,2,4-5,7-8H2,1H3
InChIKey
SLPRAMHKLMLDEH-UHFFFAOYSA-N
Compound name
ethyl 3-(6-chloropyridin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.10843 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11571 170.7
[M+Na]+ 333.09765 178.5
[M-H]- 309.10115 172.5
[M+NH4]+ 328.14225 188.4
[M+K]+ 349.07159 173.6
[M+H-H2O]+ 293.10569 163.9
[M+HCOO]- 355.10663 180.5
[M+CH3COO]- 369.12228 199.5
[M+Na-2H]- 331.08310 172.7
[M]+ 310.10788 171.5
[M]- 310.10898 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.