CID 1732907

499980-87-9

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CC1=CC(=CC(=C1OCCN)C)Br

InChI

InChI=1S/C10H14BrNO/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h5-6H,3-4,12H2,1-2H3

InChIKey

FFKROXJDDPPCLJ-UHFFFAOYSA-N

Compound name

2-(4-bromo-2,6-dimethylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.02588 Da
Monoisotopic Mass: 2.4
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	146.5
[M+Na]+	266.01510	149.8
[M+NH4]+	261.05970	151.5
[M+K]+	281.98904	149.2
[M-H]-	242.01860	147.9
[M+Na-2H]-	264.00055	149.7
[M]+	243.02533	146.2
[M]-	243.02643	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe