CID 11008067

4-amino-3-(methylamino)benzonitrile

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

CNC1=C(C=CC(=C1)C#N)N

InChI

InChI=1S/C8H9N3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,11H,10H2,1H3

InChIKey

NRISBPKZFFXEHJ-UHFFFAOYSA-N

Compound name

4-amino-3-(methylamino)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 147.07965 Da
Monoisotopic Mass: 0.9
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]+	148.08693	134.3
[M+Na]+	170.06887	145.4
[M+NH4]+	165.11347	139.4
[M+K]+	186.04281	136.2
[M-H]-	146.07237	130.3
[M+Na-2H]-	168.05432	138.6
[M]+	147.07910	133.8
[M]-	147.08020	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe