CID 51059931

Ethyl 4-(6-chloro-3-pyridinyl)-4-hydroxy-1-piperidinecarboxylate

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
CCOC(=O)N1CCC(CC1)(C2=CN=C(C=C2)Cl)O
InChI
InChI=1S/C13H17ClN2O3/c1-2-19-12(17)16-7-5-13(18,6-8-16)10-3-4-11(14)15-9-10/h3-4,9,18H,2,5-8H2,1H3
InChIKey
JYPABDRIHWSJCF-UHFFFAOYSA-N
Compound name
ethyl 4-(6-chloro-3-pyridinyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.100046 162.1
[M+Na]+ 307.081988 169.1
[M-H]- 283.085494 164.3
[M+NH4]+ 302.126593 177.2
[M+K]+ 323.055928 165.2
[M+H-H2O]+ 267.090030 154.6
[M+HCOO]- 329.090971 173.7
[M+CH3COO]- 343.106621 193.3
[M+Na-2H]- 305.067436 165.5
[M]+ 284.09222142 161.7
[M]- 284.09331858 161.7
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.