CID 4518444

3360-78-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CNC1=C(C=C(C=C1)OC)N

InChI

InChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3

InChIKey

LJGJDFAHHABYEF-UHFFFAOYSA-N

Compound name

4-methoxy-1-N-methylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 152.09496 Da
Monoisotopic Mass: 1.2
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]+	153.10224	130.7
[M+Na]+	175.08418	142.3
[M+NH4]+	170.12878	139.3
[M+K]+	191.05812	136.4
[M-H]-	151.08768	134.0
[M+Na-2H]-	173.06963	137.7
[M]+	152.09441	133.1
[M]-	152.09551	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe