CID 45097473

5-bromo-2-methoxy-4-methylaniline

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC1=CC(=C(C=C1Br)N)OC

InChI

InChI=1S/C8H10BrNO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,10H2,1-2H3

InChIKey

CQTXKFAOECJJFM-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxy-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.99458 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]+	216.00186	137.4
[M+Na]+	237.98380	141.1
[M+NH4]+	233.02840	142.6
[M+K]+	253.95774	141.0
[M-H]-	213.98730	138.8
[M+Na-2H]-	235.96925	141.1
[M]+	214.99403	137.1
[M]-	214.99513	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe