CID 121399

1199-19-5

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CN(C)CC(C1=CC=CC=C1)Br

InChI

InChI=1S/C10H14BrN/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey

FAYDKYWSKJYIRG-UHFFFAOYSA-N

Compound name

2-bromo-N,N-dimethyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.03096 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]+	228.03824	144.7
[M+Na]+	250.02018	153.9
[M-H]-	226.02368	151.8
[M+NH4]+	245.06478	166.5
[M+K]+	265.99412	144.1
[M+H-H2O]+	210.02822	143.9
[M+HCOO]-	272.02916	166.7
[M+CH3COO]-	286.04481	193.4
[M+Na-2H]-	248.00563	151.4
[M]+	227.03041	163.2
[M]-	227.03151	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.