CID 5060109

23173-76-4

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CCOC(=O)CN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c1-2-19-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3

InChIKey

CGEGJBMEYWWPNX-UHFFFAOYSA-N

Compound name

ethyl 2-(4-benzylpiperazin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 262.16812 Da
Monoisotopic Mass: 1.9
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]+	263.175396	163.5
[M+Na]+	285.157338	167.5
[M-H]-	261.160844	166.0
[M+NH4]+	280.201943	176.9
[M+K]+	301.131278	164.6
[M+H-H2O]+	245.165380	153.9
[M+HCOO]-	307.166321	180.2
[M+CH3COO]-	321.181971	195.9
[M+Na-2H]-	283.142786	166.2
[M]+	262.16757142	161.4
[M]-	262.16866858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe