CID 63626726

2287332-37-8

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

CNC1CCC2=C(C1)C=CC(=C2)Br

InChI

InChI=1S/C11H14BrN/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11,13H,3,5,7H2,1H3

InChIKey

HLHBGIWMLLVEGK-UHFFFAOYSA-N

Compound name

6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 239.03096 Da
Monoisotopic Mass: 3.1
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]+	240.038236	146.3
[M+Na]+	262.020178	156.2
[M-H]-	238.023684	152.9
[M+NH4]+	257.064783	168.4
[M+K]+	277.994118	144.6
[M+H-H2O]+	222.028220	146.2
[M+HCOO]-	284.029161	165.7
[M+CH3COO]-	298.044811	192.4
[M+Na-2H]-	260.005626	154.2
[M]+	239.03041142	161.6
[M]-	239.03150858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe