CID 14519634

89989-06-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCOC1=CC=CC(=C1)N2CCNCC2

InChI

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

InChIKey

SNOLWZPEAPGOOD-UHFFFAOYSA-N

Compound name

1-(3-ethoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 206.1419 Da
Monoisotopic Mass: 1.4
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]+	207.149176	148.3
[M+Na]+	229.131118	153.2
[M-H]-	205.134624	149.8
[M+NH4]+	224.175723	163.4
[M+K]+	245.105058	149.6
[M+H-H2O]+	189.139160	139.6
[M+HCOO]-	251.140101	165.1
[M+CH3COO]-	265.155751	182.9
[M+Na-2H]-	227.116566	153.3
[M]+	206.14135142	143.3
[M]-	206.14244858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe