CID 75355401

3-(4-bromo-2-methoxyphenyl)propan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

COC1=C(C=CC(=C1)Br)CCCN

InChI

InChI=1S/C10H14BrNO/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7H,2-3,6,12H2,1H3

InChIKey

OXURAAPXMZEYQC-UHFFFAOYSA-N

Compound name

3-(4-bromo-2-methoxyphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.02588 Da
Monoisotopic Mass: 2.3
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	146.6
[M+Na]+	266.015098	157.5
[M-H]-	242.018604	152.4
[M+NH4]+	261.059703	167.5
[M+K]+	281.989038	146.0
[M+H-H2O]+	226.023140	145.9
[M+HCOO]-	288.024081	168.7
[M+CH3COO]-	302.039731	192.7
[M+Na-2H]-	264.000546	152.9
[M]+	243.02533142	165.6
[M]-	243.02642858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.