CID 139436

13349-82-1

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

C1CN(CCN1)CCOCCO

InChI

InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2

InChIKey

FLNQAPQQAZVRDA-UHFFFAOYSA-N

Compound name

2-(2-piperazin-1-ylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3371
Patents: 174.13683 Da
Monoisotopic Mass: -1.2
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]+	175.14411	141.5
[M+Na]+	197.12605	145.2
[M-H]-	173.12955	138.1
[M+NH4]+	192.17065	157.2
[M+K]+	213.09999	143.3
[M+H-H2O]+	157.13409	134.1
[M+HCOO]-	219.13503	156.8
[M+CH3COO]-	233.15068	173.6
[M+Na-2H]-	195.11150	146.1
[M]+	174.13628	136.8
[M]-	174.13738	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe