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

2
Annotation Hits: 9
References: 2203
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]+	172.096816	135.9
[M+Na]+	194.078758	142.0
[M-H]-	170.082264	137.6
[M+NH4]+	189.123363	154.9
[M+K]+	210.052698	141.8
[M+H-H2O]+	154.086800	129.6
[M+HCOO]-	216.087741	155.3
[M+CH3COO]-	230.103391	177.0
[M+Na-2H]-	192.064206	139.9
[M]+	171.08899142	134.2
[M]-	171.09008858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe