CID 93482657

Ns00061751

Structural Information

Molecular Formula

C₈H₁₁N₄

SMILES

CN(C)C1=CC=CC(=C1N)[N+]#N

InChI

InChI=1S/C8H11N4/c1-12(2)7-5-3-4-6(11-10)8(7)9/h3-5H,9H2,1-2H3/q+1

InChIKey

FBFXMHKXNRFHCG-UHFFFAOYSA-N

Compound name

2-amino-3-(dimethylamino)benzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.09837 Da
Monoisotopic Mass: 2.6
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]+	164.105646	137.5
[M+Na]+	186.087588	146.6
[M-H]-	162.091094	143.1
[M+NH4]+	181.132193	156.0
[M+K]+	202.061528	141.2
[M+H-H2O]+	146.095630	126.7
[M+HCOO]-	208.096571	161.8
[M+CH3COO]-	222.112221	197.0
[M+Na-2H]-	184.073036	145.2
[M]+	163.09782142	131.1
[M]-	163.09891858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.