CID 61287119

869112-14-1

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₂

SMILES

CCOC(=O)C1CCN(CC1)CCCl

InChI

InChI=1S/C10H18ClNO2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-8H2,1H3

InChIKey

OTUFGRVWNPWRJD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 219.1026 Da
Monoisotopic Mass: 1.6
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]+	220.10988	149.0
[M+Na]+	242.09182	154.7
[M-H]-	218.09532	150.1
[M+NH4]+	237.13642	167.0
[M+K]+	258.06576	152.0
[M+H-H2O]+	202.09986	143.1
[M+HCOO]-	264.10080	162.7
[M+CH3COO]-	278.11645	186.4
[M+Na-2H]-	240.07727	151.4
[M]+	219.10205	149.3
[M]-	219.10315	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe