CID 87102

17413-10-4

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1COC2=C(O1)C=CC(=C2)CN

InChI

InChI=1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2

InChIKey

FUDYRLUSXBRPIA-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 431
Patents: 165.07898 Da
Monoisotopic Mass: 0.7
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	132.8
[M+Na]+	188.06820	145.6
[M+NH4]+	183.11280	142.3
[M+K]+	204.04214	139.8
[M-H]-	164.07170	138.9
[M+Na-2H]-	186.05365	138.5
[M]+	165.07843	136.4
[M]-	165.07953	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe