CID 880785

426235-15-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C

InChI

InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3

InChIKey

GIIIJZOPGUFGBF-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 248.15248 Da
Monoisotopic Mass: 1.3
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]+	249.159756	159.0
[M+Na]+	271.141698	164.3
[M-H]-	247.145204	162.0
[M+NH4]+	266.186303	173.2
[M+K]+	287.115638	161.7
[M+H-H2O]+	231.149740	149.9
[M+HCOO]-	293.150681	176.0
[M+CH3COO]-	307.166331	194.1
[M+Na-2H]-	269.127146	161.4
[M]+	248.15193142	157.0
[M]-	248.15302858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe