CID 1514166

23936-04-1

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1CN(CC(=O)N1)CCO

InChI

InChI=1S/C6H12N2O2/c9-4-3-8-2-1-7-6(10)5-8/h9H,1-5H2,(H,7,10)

InChIKey

DPUICVIJDAOKBK-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 144.08987 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]+	145.09715	131.6
[M+Na]+	167.07909	137.5
[M-H]-	143.08259	129.1
[M+NH4]+	162.12369	148.8
[M+K]+	183.05303	135.4
[M+H-H2O]+	127.08713	125.1
[M+HCOO]-	189.08807	147.8
[M+CH3COO]-	203.10372	167.8
[M+Na-2H]-	165.06454	136.6
[M]+	144.08932	126.0
[M]-	144.09042	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe