CID 14607

1946-26-5

Structural Information

Molecular Formula

C₁₅H₁₈BrN

SMILES

CCN(CCBr)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C15H18BrN/c1-2-17(11-10-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3

InChIKey

NQXKEZOQGPYBND-UHFFFAOYSA-N

Compound name

2-bromo-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 291.06226 Da
Monoisotopic Mass: 4.2
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]+	292.06954	161.9
[M+Na]+	314.05148	171.2
[M-H]-	290.05498	169.5
[M+NH4]+	309.09608	182.4
[M+K]+	330.02542	159.8
[M+H-H2O]+	274.05952	160.6
[M+HCOO]-	336.06046	183.2
[M+CH3COO]-	350.07611	205.2
[M+Na-2H]-	312.03693	169.4
[M]+	291.06171	181.9
[M]-	291.06281	181.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.