CID 59657936

3-amino-1-ethylpiperidin-2-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCN1CCCC(C1=O)N

InChI

InChI=1S/C7H14N2O/c1-2-9-5-3-4-6(8)7(9)10/h6H,2-5,8H2,1H3

InChIKey

PFAHDCGGYGPULO-UHFFFAOYSA-N

Compound name

3-amino-1-ethylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 142.11061 Da
Monoisotopic Mass: -0.3
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]+	143.11789	130.9
[M+Na]+	165.09983	137.4
[M-H]-	141.10333	132.4
[M+NH4]+	160.14443	150.8
[M+K]+	181.07377	136.1
[M+H-H2O]+	125.10787	124.8
[M+HCOO]-	187.10881	151.3
[M+CH3COO]-	201.12446	176.5
[M+Na-2H]-	163.08528	135.0
[M]+	142.11006	126.0
[M]-	142.11116	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe