CID 34767

N-carbethoxy-4-piperidone

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCOC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

InChIKey

LUBGFMZTGFXIIN-UHFFFAOYSA-N

Compound name

ethyl 4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2157
Patents: 171.08954 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]+	172.09682	137.2
[M+Na]+	194.07876	147.1
[M+NH4]+	189.12336	144.2
[M+K]+	210.05270	142.5
[M-H]-	170.08226	137.0
[M+Na-2H]-	192.06421	140.8
[M]+	171.08899	138.2
[M]-	171.09009	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe