CID 133052761

Dtxsid90891601

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CC(=O)NCC(C1=CCCCC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H23NO2/c1-13(19)18-12-17(14-6-4-3-5-7-14)15-8-10-16(20-2)11-9-15/h6,8-11,17H,3-5,7,12H2,1-2H3,(H,18,19)

InChIKey

KBTRXOVQHFGXMN-UHFFFAOYSA-N

Compound name

N-[2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.17288 Da
Monoisotopic Mass: 3.0
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]+	274.180156	166.3
[M+Na]+	296.162098	169.2
[M-H]-	272.165604	171.7
[M+NH4]+	291.206703	181.6
[M+K]+	312.136038	166.5
[M+H-H2O]+	256.170140	158.1
[M+HCOO]-	318.171081	186.4
[M+CH3COO]-	332.186731	202.0
[M+Na-2H]-	294.147546	167.9
[M]+	273.17233142	164.0
[M]-	273.17342858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.