CID 2760452

143999-89-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCNCC2

InChI

InChI=1S/C13H18N2O2/c1-11-2-4-12(5-3-11)17-10-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3

InChIKey

ADEYXYMYJGTRQA-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.13683 Da
Monoisotopic Mass: 0.8
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]+	235.14411	155.1
[M+Na]+	257.12605	159.5
[M-H]-	233.12955	156.5
[M+NH4]+	252.17065	168.9
[M+K]+	273.09999	156.2
[M+H-H2O]+	217.13409	146.2
[M+HCOO]-	279.13503	170.9
[M+CH3COO]-	293.15068	187.4
[M+Na-2H]-	255.11150	158.3
[M]+	234.13628	150.4
[M]-	234.13738	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe