CID 413371

2-(3-bromophenoxy)-n,n-dimethylethanamine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CN(C)CCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3

InChIKey

ITRIRBFNZOUJEP-UHFFFAOYSA-N

Compound name

2-(3-bromophenoxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 243.02588 Da
Monoisotopic Mass: 2.6
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]+	244.03316	144.9
[M+Na]+	266.01510	148.1
[M+NH4]+	261.05970	150.3
[M+K]+	281.98904	147.5
[M-H]-	242.01860	146.7
[M+Na-2H]-	264.00055	149.2
[M]+	243.02533	144.7
[M]-	243.02643	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe