CID 3146110

90609-93-1

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CNC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C9H11NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,10H,4-5H2,1H3

InChIKey

PFIIOMYDQZYTJG-UHFFFAOYSA-N

Compound name

N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 132
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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]+	166.08626	132.6
[M+Na]+	188.06820	145.7
[M+NH4]+	183.11280	142.2
[M+K]+	204.04214	139.6
[M-H]-	164.07170	138.8
[M+Na-2H]-	186.05365	138.8
[M]+	165.07843	136.3
[M]-	165.07953	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe