CID 15400020

1284247-69-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)13-7-6-12-8-11(13)14/h2-5,12H,6-8H2,1H3

InChIKey

OLCFAGOBWZYMTH-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 206.10553 Da
Monoisotopic Mass: 0.6
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]+	207.112806	145.9
[M+Na]+	229.094748	152.4
[M-H]-	205.098254	148.0
[M+NH4]+	224.139353	161.2
[M+K]+	245.068688	149.0
[M+H-H2O]+	189.102790	137.6
[M+HCOO]-	251.103731	163.4
[M+CH3COO]-	265.119381	182.3
[M+Na-2H]-	227.080196	150.7
[M]+	206.10498142	141.7
[M]-	206.10607858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe