CID 17999126

578029-09-1

Structural Information

Molecular Formula

C₁₁H₁₀BrN

SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)CN

InChI

InChI=1S/C11H10BrN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H,7,13H2

InChIKey

PMFKFFYEQAYJDO-UHFFFAOYSA-N

Compound name

(4-bromonaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 234.99966 Da
Monoisotopic Mass: 2.7
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]+	236.00694	141.4
[M+Na]+	257.98888	146.3
[M+NH4]+	253.03348	147.9
[M+K]+	273.96282	144.6
[M-H]-	233.99238	144.2
[M+Na-2H]-	255.97433	146.4
[M]+	234.99911	141.8
[M]-	235.00021	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe