CID 51060066

Ethyl 4-((6-chloro-2-pyridinyl)carbonyl)-1-piperidinecarboxylate

Structural Information

Molecular Formula
C14H17ClN2O3
SMILES
CCOC(=O)N1CCC(CC1)C(=O)C2=NC(=CC=C2)Cl
InChI
InChI=1S/C14H17ClN2O3/c1-2-20-14(19)17-8-6-10(7-9-17)13(18)11-4-3-5-12(15)16-11/h3-5,10H,2,6-9H2,1H3
InChIKey
OXUGTAQOTVBCOC-UHFFFAOYSA-N
Compound name
ethyl 4-(6-chloropyridine-2-carbonyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09277 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10005 165.4
[M+Na]+ 319.08199 171.5
[M-H]- 295.08549 168.5
[M+NH4]+ 314.12659 178.5
[M+K]+ 335.05593 167.7
[M+H-H2O]+ 279.09003 157.0
[M+HCOO]- 341.09097 177.3
[M+CH3COO]- 355.10662 199.3
[M+Na-2H]- 317.06744 166.5
[M]+ 296.09222 165.6
[M]- 296.09332 165.6
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.