CID 209238

19504-37-1

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CCNCC(C1=CC=CC=C1)Br

InChI

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

InChIKey

AHZBLKSWYOVACN-UHFFFAOYSA-N

Compound name

2-bromo-N-ethyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03096 Da
Monoisotopic Mass: 2.5
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	153.7
[M-H]-	226.02368	150.4
[M+NH4]+	245.06478	165.9
[M+K]+	265.99412	142.6
[M+H-H2O]+	210.02822	144.0
[M+HCOO]-	272.02916	166.2
[M+CH3COO]-	286.04481	190.1
[M+Na-2H]-	248.00563	152.1
[M]+	227.03041	162.1
[M]-	227.03151	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.