CID 18663046

2-methoxy-5-piperazin-1-yl-phenol

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

COC1=C(C=C(C=C1)N2CCNCC2)O

InChI

InChI=1S/C11H16N2O2/c1-15-11-3-2-9(8-10(11)14)13-6-4-12-5-7-13/h2-3,8,12,14H,4-7H2,1H3

InChIKey

JEITXSUTZNDIBO-UHFFFAOYSA-N

Compound name

2-methoxy-5-piperazin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 208.12119 Da
Monoisotopic Mass: 1.0
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]+	209.12847	147.8
[M+Na]+	231.11041	159.8
[M+NH4]+	226.15501	155.2
[M+K]+	247.08435	153.9
[M-H]-	207.11391	149.7
[M+Na-2H]-	229.09586	154.0
[M]+	208.12064	149.8
[M]-	208.12174	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe