CID 320166

2-(1h-imidazol-1-yl)aniline

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C(C(=C1)N)N2C=CN=C2

InChI

InChI=1S/C9H9N3/c10-8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H,10H2

InChIKey

HVECTIQVQPUSEX-UHFFFAOYSA-N

Compound name

2-imidazol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 181
Patents: 159.07965 Da
Monoisotopic Mass: 1.0
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]+	160.08693	130.9
[M+Na]+	182.06887	139.8
[M-H]-	158.07237	135.0
[M+NH4]+	177.11347	150.3
[M+K]+	198.04281	136.6
[M+H-H2O]+	142.07691	122.9
[M+HCOO]-	204.07785	155.6
[M+CH3COO]-	218.09350	144.7
[M+Na-2H]-	180.05432	137.9
[M]+	159.07910	128.8
[M]-	159.08020	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe