CID 18985154

3221-25-8

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCN1CCN(CC1)CCO

InChI

InChI=1S/C8H18N2O/c1-2-9-3-5-10(6-4-9)7-8-11/h11H,2-8H2,1H3

InChIKey

HYSZWUPCSXTPSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 736
Patents: 158.1419 Da
Monoisotopic Mass: -0.2
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]+	159.149176	138.2
[M+Na]+	181.131118	143.4
[M-H]-	157.134624	136.7
[M+NH4]+	176.175723	155.7
[M+K]+	197.105058	141.9
[M+H-H2O]+	141.139160	131.1
[M+HCOO]-	203.140101	154.7
[M+CH3COO]-	217.155751	175.3
[M+Na-2H]-	179.116566	142.6
[M]+	158.14135142	134.3
[M]-	158.14244858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe