CID 15053

4442-59-5

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1C(OC2=CC=CC=C2O1)CN

InChI

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

InChIKey

JHNURUNMNRSGRO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 802
Patents: 165.07898 Da
Monoisotopic Mass: 0.8
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	132.4
[M+Na]+	188.06820	139.5
[M-H]-	164.07170	137.6
[M+NH4]+	183.11280	150.9
[M+K]+	204.04214	139.7
[M+H-H2O]+	148.07624	126.4
[M+HCOO]-	210.07718	153.0
[M+CH3COO]-	224.09283	178.9
[M+Na-2H]-	186.05365	142.2
[M]+	165.07843	131.1
[M]-	165.07953	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe