CID 70530

1011-17-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1CN(CCN1)C2=CC=CC=C2O

InChI

InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2

InChIKey

UORNTHBBLYBAJJ-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 777
Patents: 178.11061 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]+	179.11789	140.0
[M+Na]+	201.09983	145.3
[M-H]-	177.10333	140.5
[M+NH4]+	196.14443	155.5
[M+K]+	217.07377	141.3
[M+H-H2O]+	161.10787	132.0
[M+HCOO]-	223.10881	155.9
[M+CH3COO]-	237.12446	150.6
[M+Na-2H]-	199.08528	145.5
[M]+	178.11006	132.4
[M]-	178.11116	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe