CID 83357

1-(2-ethoxyphenyl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCOC1=CC=CC=C1N2CCNCC2

InChI

InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3

InChIKey

FBQIUSDQWOLCNY-UHFFFAOYSA-N

Compound name

1-(2-ethoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 953
Patents: 206.1419 Da
Monoisotopic Mass: 1.7
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]+	207.14918	148.3
[M+Na]+	229.13112	153.2
[M-H]-	205.13462	149.8
[M+NH4]+	224.17572	163.4
[M+K]+	245.10506	149.6
[M+H-H2O]+	189.13916	139.6
[M+HCOO]-	251.14010	165.1
[M+CH3COO]-	265.15575	182.9
[M+Na-2H]-	227.11657	153.3
[M]+	206.14135	143.3
[M]-	206.14245	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe