CID 54370275

1071532-77-8

Structural Information

Molecular Formula

C₁₁H₁₀BrNO

SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)N

InChI

InChI=1S/C11H10BrNO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,13H2,1H3

InChIKey

USSBCQUPXPVJCB-UHFFFAOYSA-N

Compound name

6-bromo-2-methoxynaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 250.99458 Da
Monoisotopic Mass: 3.2
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]+	252.00186	146.4
[M+Na]+	273.98380	158.9
[M-H]-	249.98730	153.6
[M+NH4]+	269.02840	168.2
[M+K]+	289.95774	147.2
[M+H-H2O]+	233.99184	146.1
[M+HCOO]-	295.99278	168.1
[M+CH3COO]-	310.00843	194.1
[M+Na-2H]-	271.96925	154.5
[M]+	250.99403	165.1
[M]-	250.99513	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe