CID 77597

3973-70-4

Structural Information

Molecular Formula

C₆H₁₅N₃O

SMILES

C1CN(CCN1CCO)N

InChI

InChI=1S/C6H15N3O/c7-9-3-1-8(2-4-9)5-6-10/h10H,1-7H2

InChIKey

XAOHWSFGKCJOGT-UHFFFAOYSA-N

Compound name

2-(4-aminopiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 513
Patents: 145.1215 Da
Monoisotopic Mass: -1.4
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]+	146.128776	133.2
[M+Na]+	168.110718	138.5
[M-H]-	144.114224	131.5
[M+NH4]+	163.155323	150.6
[M+K]+	184.084658	136.9
[M+H-H2O]+	128.118760	126.1
[M+HCOO]-	190.119701	150.9
[M+CH3COO]-	204.135351	173.5
[M+Na-2H]-	166.096166	138.0
[M]+	145.12095142	126.9
[M]-	145.12204858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe