CID 81652

7239-21-6

Structural Information

Molecular Formula

C₈H₁₀BrN₃

SMILES

CN(C)N=NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H10BrN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

LFGYQNAHFGPILM-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)diazenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 227.00581 Da
Monoisotopic Mass: 3.4
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]+	228.013086	138.6
[M+Na]+	249.995028	149.0
[M-H]-	225.998534	148.7
[M+NH4]+	245.039633	161.2
[M+K]+	265.968968	139.9
[M+H-H2O]+	210.003070	136.2
[M+HCOO]-	272.004011	166.9
[M+CH3COO]-	286.019661	200.6
[M+Na-2H]-	247.980476	148.3
[M]+	227.00526142	158.6
[M]-	227.00635858	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe