CID 5136721

59820-84-7

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC2=C(C=C1N)OCCO2

InChI

InChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3

InChIKey

ARAHLXHMPGGAEQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 165.07898 Da
Monoisotopic Mass: 1.3
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	132.5
[M+Na]+	188.06820	145.7
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	140.1
[M-H]-	164.07170	138.6
[M+Na-2H]-	186.05365	138.0
[M]+	165.07843	136.2
[M]-	165.07953	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe