CID 66568274

1353979-43-7

Structural Information

Molecular Formula

C₁₁H₁₇BrN₂

SMILES

CCN(CCN)CC1=CC(=CC=C1)Br

InChI

InChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3

InChIKey

XSMDMHAMGOGFLG-UHFFFAOYSA-N

Compound name

N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 256.0575 Da
Monoisotopic Mass: 1.9
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]+	257.06478	151.6
[M+Na]+	279.04672	153.6
[M+NH4]+	274.09132	156.7
[M+K]+	295.02066	152.7
[M-H]-	255.05022	153.7
[M+Na-2H]-	277.03217	155.2
[M]+	256.05695	151.2
[M]-	256.05805	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe