CID 53273624

Ethyl 1-aminopiperidine-4-carboxylate

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CCOC(=O)C1CCN(CC1)N

InChI

InChI=1S/C8H16N2O2/c1-2-12-8(11)7-3-5-10(9)6-4-7/h7H,2-6,9H2,1H3

InChIKey

UABIHSXDHLUMBZ-UHFFFAOYSA-N

Compound name

ethyl 1-aminopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 172.12119 Da
Monoisotopic Mass: 0.2
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]+	173.12847	138.7
[M+Na]+	195.11041	147.4
[M+NH4]+	190.15501	145.8
[M+K]+	211.08435	142.9
[M-H]-	171.11391	139.3
[M+Na-2H]-	193.09586	142.0
[M]+	172.12064	139.6
[M]-	172.12174	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe