CID 51060069

Ethyl 4-((6-chloro-2-pyridinyl)(fluoro)methyl)-1-piperidinecarboxylate

Structural Information

Molecular Formula
C14H18ClFN2O2
SMILES
CCOC(=O)N1CCC(CC1)C(C2=NC(=CC=C2)Cl)F
InChI
InChI=1S/C14H18ClFN2O2/c1-2-20-14(19)18-8-6-10(7-9-18)13(16)11-4-3-5-12(15)17-11/h3-5,10,13H,2,6-9H2,1H3
InChIKey
AKGAOOHMTODOMG-UHFFFAOYSA-N
Compound name
ethyl 4-[(6-chloropyridin-2-yl)-fluoromethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1041 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11138 166.5
[M+Na]+ 323.09332 172.4
[M-H]- 299.09682 168.1
[M+NH4]+ 318.13792 179.5
[M+K]+ 339.06726 168.1
[M+H-H2O]+ 283.10136 157.1
[M+HCOO]- 345.10230 176.9
[M+CH3COO]- 359.11795 200.7
[M+Na-2H]- 321.07877 166.9
[M]+ 300.10355 164.9
[M]- 300.10465 164.9
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.