CID 51060053

Ethyl 4-[(6-chloro-2-pyridinyl)(hydroxy)methyl]-1-piperidinecarboxylate

Structural Information

Molecular Formula
C14H19ClN2O3
SMILES
CCOC(=O)N1CCC(CC1)C(C2=NC(=CC=C2)Cl)O
InChI
InChI=1S/C14H19ClN2O3/c1-2-20-14(19)17-8-6-10(7-9-17)13(18)11-4-3-5-12(15)16-11/h3-5,10,13,18H,2,6-9H2,1H3
InChIKey
CFCPGVVSPJWMFI-UHFFFAOYSA-N
Compound name
ethyl 4-[(6-chloropyridin-2-yl)-hydroxymethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10843 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11571 166.9
[M+Na]+ 321.09765 172.2
[M-H]- 297.10115 168.6
[M+NH4]+ 316.14225 179.2
[M+K]+ 337.07159 168.2
[M+H-H2O]+ 281.10569 158.7
[M+HCOO]- 343.10663 177.1
[M+CH3COO]- 357.12228 197.7
[M+Na-2H]- 319.08310 167.5
[M]+ 298.10788 165.9
[M]- 298.10898 165.9
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

No patent data available for this compound.