CID 771959

92114-37-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)10-16-11-4-2-1-3-5-11/h1-5,13H,6-10H2

InChIKey

XZCPXUCNSORUCQ-UHFFFAOYSA-N

Compound name

2-phenoxy-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 88
Patents: 220.12119 Da
Monoisotopic Mass: 0.5
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]+	221.12847	151.4
[M+Na]+	243.11041	162.7
[M+NH4]+	238.15501	158.6
[M+K]+	259.08435	156.5
[M-H]-	219.11391	153.2
[M+Na-2H]-	241.09586	158.0
[M]+	220.12064	153.2
[M]-	220.12174	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe