CID 10942387

(s)-5-aminopiperidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC(=O)NC[C@H]1N

InChI

InChI=1S/C5H10N2O/c6-4-1-2-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1

InChIKey

APDCFRUAEFSNPV-BYPYZUCNSA-N

Compound name

(5S)-5-aminopiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 499
Patents: 114.079315 Da
Monoisotopic Mass: -1.3
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe