CID 45882

63979-00-0

Structural Information

Molecular Formula

C₁₆H₂₄ClNO

SMILES

CCCCOC1=C2CCCC(C2=C(C=C1)Cl)N(C)C

InChI

InChI=1S/C16H24ClNO/c1-4-5-11-19-15-10-9-13(17)16-12(15)7-6-8-14(16)18(2)3/h9-10,14H,4-8,11H2,1-3H3

InChIKey

NIXQARSUYVOYOW-UHFFFAOYSA-N

Compound name

5-butoxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.15463 Da
Monoisotopic Mass: 4.4
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]+	282.161906	166.9
[M+Na]+	304.143848	173.5
[M-H]-	280.147354	171.8
[M+NH4]+	299.188453	185.6
[M+K]+	320.117788	169.5
[M+H-H2O]+	264.151890	160.6
[M+HCOO]-	326.152831	183.2
[M+CH3COO]-	340.168481	208.0
[M+Na-2H]-	302.129296	169.4
[M]+	281.15408142	170.4
[M]-	281.15517858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.