CID 410183

1-piperidinecarboxylic acid, diethylaminoethyl ester

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CCN(CC)CCOC(=O)N1CCCCC1

InChI

InChI=1S/C12H24N2O2/c1-3-13(4-2)10-11-16-12(15)14-8-6-5-7-9-14/h3-11H2,1-2H3

InChIKey

CPIJUWSGKKQBMY-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.18378 Da
Monoisotopic Mass: 1.7
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]+	229.191056	157.0
[M+Na]+	251.172998	159.3
[M-H]-	227.176504	158.8
[M+NH4]+	246.217603	173.7
[M+K]+	267.146938	159.6
[M+H-H2O]+	211.181040	149.0
[M+HCOO]-	273.181981	176.0
[M+CH3COO]-	287.197631	195.1
[M+Na-2H]-	249.158446	158.9
[M]+	228.18323142	156.0
[M]-	228.18432858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.