CID 736836

Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆ClNO₃

SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCl

InChI

InChI=1S/C10H16ClNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3

InChIKey

QEHUOCAVXLYCAU-UHFFFAOYSA-N

Compound name

ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 233.08188 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.089156	150.1
[M+Na]+	256.071098	155.8
[M-H]-	232.074604	151.4
[M+NH4]+	251.115703	167.3
[M+K]+	272.045038	153.6
[M+H-H2O]+	216.079140	144.3
[M+HCOO]-	278.080081	163.3
[M+CH3COO]-	292.095731	187.7
[M+Na-2H]-	254.056546	151.4
[M]+	233.08133142	150.5
[M]-	233.08242858	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe