CID 60792140

3-bromo-4-(methoxymethyl)aniline

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

COCC1=C(C=C(C=C1)N)Br

InChI

InChI=1S/C8H10BrNO/c1-11-5-6-2-3-7(10)4-8(6)9/h2-4H,5,10H2,1H3

InChIKey

YIOYPCPKPAPGOP-UHFFFAOYSA-N

Compound name

3-bromo-4-(methoxymethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.99458 Da
Monoisotopic Mass: 1.6
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]+	216.00186	137.8
[M+Na]+	237.98380	141.2
[M+NH4]+	233.02840	143.1
[M+K]+	253.95774	140.9
[M-H]-	213.98730	139.2
[M+Na-2H]-	235.96925	141.7
[M]+	214.99403	137.5
[M]-	214.99513	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.