CID 49768628

1-(2-hydroxyethyl)-4-glycolyl-piperazine

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

C1CN(CCN1C(=O)CO)O

InChI

InChI=1S/C6H12N2O3/c9-5-6(10)7-1-3-8(11)4-2-7/h9,11H,1-5H2

InChIKey

YZBOANFVIZGVFC-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(4-hydroxypiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 160.0848 Da
Monoisotopic Mass: -1.6
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]+	161.09208	134.6
[M+Na]+	183.07402	140.3
[M-H]-	159.07752	132.2
[M+NH4]+	178.11862	151.1
[M+K]+	199.04796	139.2
[M+H-H2O]+	143.08206	128.0
[M+HCOO]-	205.08300	150.0
[M+CH3COO]-	219.09865	170.2
[M+Na-2H]-	181.05947	138.4
[M]+	160.08425	129.7
[M]-	160.08535	129.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.