CID 98969

Ethyl nipecotate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)C1CCCNC1

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3

InChIKey

XIWBSOUNZWSFKU-UHFFFAOYSA-N

Compound name

ethyl piperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 3627
Patents: 157.11028 Da
Monoisotopic Mass: 0.1
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]+	158.11756	135.8
[M+Na]+	180.09950	145.2
[M+NH4]+	175.14410	143.3
[M+K]+	196.07344	140.2
[M-H]-	156.10300	135.9
[M+Na-2H]-	178.08495	139.6
[M]+	157.10973	136.8
[M]-	157.11083	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe