CID 53407155

862168-49-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

COCCOC1=CC=CC(=C1)N2CCNCC2

InChI

InChI=1S/C13H20N2O2/c1-16-9-10-17-13-4-2-3-12(11-13)15-7-5-14-6-8-15/h2-4,11,14H,5-10H2,1H3

InChIKey

RTQPZPWCYWVQCL-UHFFFAOYSA-N

Compound name

1-[3-(2-methoxyethoxy)phenyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 236.15248 Da
Monoisotopic Mass: 1.2
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]+	237.15976	156.5
[M+Na]+	259.14170	168.3
[M+NH4]+	254.18630	163.9
[M+K]+	275.11564	161.4
[M-H]-	235.14520	158.9
[M+Na-2H]-	257.12715	163.0
[M]+	236.15193	158.6
[M]-	236.15303	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe