CID 3261601

2-(4-benzoylpiperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1CN(CCN1CCO)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2

InChIKey

DBMBIBSNWGXLHE-UHFFFAOYSA-N

Compound name

[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 234.13683 Da
Monoisotopic Mass: -0.3
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]+	235.144106	155.1
[M+Na]+	257.126048	159.5
[M-H]-	233.129554	156.5
[M+NH4]+	252.170653	168.9
[M+K]+	273.099988	156.2
[M+H-H2O]+	217.134090	146.2
[M+HCOO]-	279.135031	170.9
[M+CH3COO]-	293.150681	187.4
[M+Na-2H]-	255.111496	158.3
[M]+	234.13628142	150.4
[M]-	234.13737858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe