CID 2802152

40944-05-6

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

C1CN(CCN1)CC(COC2=CC=CC=C2)O

InChI

InChI=1S/C13H20N2O2/c16-12(10-15-8-6-14-7-9-15)11-17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2

InChIKey

MWEXFYJNMHVCPG-UHFFFAOYSA-N

Compound name

1-phenoxy-3-piperazin-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 236.15248 Da
Monoisotopic Mass: 0.7
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]+	237.15976	155.9
[M+Na]+	259.14170	158.5
[M-H]-	235.14520	155.5
[M+NH4]+	254.18630	168.6
[M+K]+	275.11564	154.9
[M+H-H2O]+	219.14974	147.0
[M+HCOO]-	281.15068	170.0
[M+CH3COO]-	295.16633	185.2
[M+Na-2H]-	257.12715	159.5
[M]+	236.15193	149.8
[M]-	236.15303	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe