CID 5200225

3-aminopiperidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC(C(=O)NC1)N

InChI

InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)

InChIKey

YCCMTCQQDULIFE-UHFFFAOYSA-N

Compound name

3-aminopiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1147
Patents: 114.079315 Da
Monoisotopic Mass: -0.8
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]+	115.08659	122.8
[M+Na]+	137.06853	128.8
[M-H]-	113.07204	122.8
[M+NH4]+	132.11314	142.8
[M+K]+	153.04247	127.0
[M+H-H2O]+	97.076575	117.0
[M+HCOO]-	159.07752	142.3
[M+CH3COO]-	173.09317	166.7
[M+Na-2H]-	135.05398	128.1
[M]+	114.07877	114.9
[M]-	114.07986	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe