CID 10606936

177477-60-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

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

InChI

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

InChIKey

OHQHGTZJKCAWDK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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	130.4
[M+Na]+	175.08418	138.4
[M-H]-	151.08768	134.2
[M+NH4]+	170.12878	151.2
[M+K]+	191.05812	136.8
[M+H-H2O]+	135.09222	124.5
[M+HCOO]-	197.09316	156.9
[M+CH3COO]-	211.10881	181.7
[M+Na-2H]-	173.06963	137.2
[M]+	152.09441	129.6
[M]-	152.09551	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe