CID 58002045

1-[2-(dimethylamino)ethyl]piperazin-2-one

Structural Information

Molecular Formula

C₈H₁₇N₃O

SMILES

CN(C)CCN1CCNCC1=O

InChI

InChI=1S/C8H17N3O/c1-10(2)5-6-11-4-3-9-7-8(11)12/h9H,3-7H2,1-2H3

InChIKey

YBSDBDDIAPKFNU-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 171.13716 Da
Monoisotopic Mass: -0.9
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]+	172.14444	139.8
[M+Na]+	194.12638	149.0
[M+NH4]+	189.17098	146.8
[M+K]+	210.10032	144.0
[M-H]-	170.12988	140.2
[M+Na-2H]-	192.11183	143.6
[M]+	171.13661	140.7
[M]-	171.13771	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe