CID 2756300

1-n-alloc-4-piperidone

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C=CCOC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C9H13NO3/c1-2-7-13-9(12)10-5-3-8(11)4-6-10/h2H,1,3-7H2

InChIKey

TUEIRODWNWORRI-UHFFFAOYSA-N

Compound name

prop-2-enyl 4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 183.08954 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]+	184.09682	139.0
[M+Na]+	206.07876	145.0
[M-H]-	182.08226	140.6
[M+NH4]+	201.12336	157.4
[M+K]+	222.05270	143.9
[M+H-H2O]+	166.08680	132.6
[M+HCOO]-	228.08774	158.3
[M+CH3COO]-	242.10339	179.2
[M+Na-2H]-	204.06421	142.5
[M]+	183.08899	137.0
[M]-	183.09009	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe