CID 3159843

162712-35-8

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

COC1=CC=CC=C1OCC(CN2CCNCC2)O

InChI

InChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3

InChIKey

HVPPJURUTODQOY-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 266.16306 Da
Monoisotopic Mass: 1.5
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]+	267.17034	164.0
[M+Na]+	289.15228	174.1
[M+NH4]+	284.19688	170.2
[M+K]+	305.12622	168.7
[M-H]-	265.15578	165.1
[M+Na-2H]-	287.13773	168.8
[M]+	266.16251	165.4
[M]-	266.16361	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe