CID 47172

64058-46-4

Structural Information

Molecular Formula

C₁₃H₁₇Cl₂NO

SMILES

CN(C)C1CCCC2=C1C(=CC(=C2OC)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO/c1-16(2)11-6-4-5-8-12(11)9(14)7-10(15)13(8)17-3/h7,11H,4-6H2,1-3H3

InChIKey

HKWILWLLOVAATP-UHFFFAOYSA-N

Compound name

6,8-dichloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.06873 Da
Monoisotopic Mass: 3.8
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]+	274.076006	158.9
[M+Na]+	296.057948	168.1
[M-H]-	272.061454	164.0
[M+NH4]+	291.102553	178.7
[M+K]+	312.031888	163.5
[M+H-H2O]+	256.065990	154.3
[M+HCOO]-	318.066931	171.2
[M+CH3COO]-	332.082581	204.5
[M+Na-2H]-	294.043396	161.6
[M]+	273.06818142	162.9
[M]-	273.06927858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.