CID 69206

Benzene-1,2,4-triamine

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1=CC(=C(C=C1N)N)N

InChI

InChI=1S/C6H9N3/c7-4-1-2-5(8)6(9)3-4/h1-3H,7-9H2

InChIKey

JSYBAZQQYCNZJE-UHFFFAOYSA-N

Compound name

benzene-1,2,4-triamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 5269
Patents: 123.07965 Da
Monoisotopic Mass: 0.0
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]+	124.08693	122.6
[M+Na]+	146.06887	130.7
[M-H]-	122.07237	125.7
[M+NH4]+	141.11347	143.6
[M+K]+	162.04281	128.3
[M+H-H2O]+	106.07691	116.9
[M+HCOO]-	168.07785	149.2
[M+CH3COO]-	182.09350	177.4
[M+Na-2H]-	144.05432	128.6
[M]+	123.07910	116.9
[M]-	123.08020	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe