CID 83872881

2253639-58-4

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CNC(=O)CC1CCCN

InChI

InChI=1S/C8H16N2O/c9-4-1-2-7-3-5-10-8(11)6-7/h7H,1-6,9H2,(H,10,11)

InChIKey

HSHDVKIXYJWMDW-UHFFFAOYSA-N

Compound name

4-(3-aminopropyl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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]+	157.13355	135.7
[M+Na]+	179.11549	144.6
[M+NH4]+	174.16009	143.1
[M+K]+	195.08943	139.1
[M-H]-	155.11899	136.5
[M+Na-2H]-	177.10094	139.2
[M]+	156.12572	136.7
[M]-	156.12682	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.