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-chloro-2-pyridinyl)-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]+ 299.115706 166.9
[M+Na]+ 321.097648 172.2
[M-H]- 297.101154 168.6
[M+NH4]+ 316.142253 179.2
[M+K]+ 337.071588 168.2
[M+H-H2O]+ 281.105690 158.7
[M+HCOO]- 343.106631 177.1
[M+CH3COO]- 357.122281 197.7
[M+Na-2H]- 319.083096 167.5
[M]+ 298.10788142 165.9
[M]- 298.10897858 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.