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]+	244.033156	146.2
[M+Na]+	266.015098	157.9
[M-H]-	242.018604	152.3
[M+NH4]+	261.059703	167.4
[M+K]+	281.989038	146.5
[M+H-H2O]+	226.023140	145.6
[M+HCOO]-	288.024081	168.2
[M+CH3COO]-	302.039731	193.8
[M+Na-2H]-	264.000546	151.8
[M]+	243.02533142	165.5
[M]-	243.02642858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe