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-chloropyridin-3-yl)-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]+ 285.10005 162.1
[M+Na]+ 307.08199 169.1
[M-H]- 283.08549 164.3
[M+NH4]+ 302.12659 177.2
[M+K]+ 323.05593 165.2
[M+H-H2O]+ 267.09003 154.6
[M+HCOO]- 329.09097 173.7
[M+CH3COO]- 343.10662 193.3
[M+Na-2H]- 305.06744 165.5
[M]+ 284.09222 161.7
[M]- 284.09332 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.