CID 21363864

1156818-22-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

C1CN(CCN1)C2=CC=C(C=C2)OCCO

InChI

InChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2

InChIKey

CPOICVAPALTGRB-UHFFFAOYSA-N

Compound name

2-(4-piperazin-1-ylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 222.13683 Da
Monoisotopic Mass: 0.5
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]+	223.144106	151.6
[M+Na]+	245.126048	155.9
[M-H]-	221.129554	151.7
[M+NH4]+	240.170653	165.3
[M+K]+	261.099988	152.1
[M+H-H2O]+	205.134090	143.0
[M+HCOO]-	267.135031	167.1
[M+CH3COO]-	281.150681	182.5
[M+Na-2H]-	243.111496	156.1
[M]+	222.13628142	146.2
[M]-	222.13737858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe