CID 46469

Brn 2133593

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C

InChI

InChI=1S/C16H23NO2/c1-5-14(18)11-9-10-15(19-4)12-7-6-8-13(16(11)12)17(2)3/h9-10,13H,5-8H2,1-4H3

InChIKey

GLYPLLJSSGKHDT-UHFFFAOYSA-N

Compound name

1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.17288 Da
Monoisotopic Mass: 2.7
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]+	262.180156	161.4
[M+Na]+	284.162098	167.1
[M-H]-	260.165604	166.7
[M+NH4]+	279.206703	179.9
[M+K]+	300.136038	165.5
[M+H-H2O]+	244.170140	154.5
[M+HCOO]-	306.171081	181.7
[M+CH3COO]-	320.186731	206.5
[M+Na-2H]-	282.147546	163.5
[M]+	261.17233142	162.9
[M]-	261.17342858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.