CID 55648

2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanamine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1C(OC2=CC=CC=C2O1)CCN

InChI

InChI=1S/C10H13NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-7,11H2

InChIKey

BIDRHBDWACXXJK-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 177
Patents: 179.09464 Da
Monoisotopic Mass: 1.1
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]+	180.10192	137.2
[M+Na]+	202.08386	143.8
[M-H]-	178.08736	142.1
[M+NH4]+	197.12846	155.1
[M+K]+	218.05780	143.8
[M+H-H2O]+	162.09190	130.9
[M+HCOO]-	224.09284	157.4
[M+CH3COO]-	238.10849	182.0
[M+Na-2H]-	200.06931	146.4
[M]+	179.09409	136.2
[M]-	179.09519	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe