CID 1725

4-aminobenzamidine

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1=CC(=CC=C1C(=N)N)N

InChI

InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)

InChIKey

WPANETAWYGDRLL-UHFFFAOYSA-N

Compound name

4-aminobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 147
References: 3336
Patents: 135.07965 Da
Monoisotopic Mass: -0.5
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]+	136.08693	126.4
[M+Na]+	158.06887	133.1
[M-H]-	134.07237	129.6
[M+NH4]+	153.11347	146.8
[M+K]+	174.04281	130.8
[M+H-H2O]+	118.07691	120.4
[M+HCOO]-	180.07785	152.6
[M+CH3COO]-	194.09350	179.9
[M+Na-2H]-	156.05432	132.4
[M]+	135.07910	120.3
[M]-	135.08020	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe