CID 98334

62590-71-0

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

C1C(OC2=CC=CC=C2O1)CCO

InChI

InChI=1S/C10H12O3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8,11H,5-7H2

InChIKey

VRCHCDXHBXLNKZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 180.07864 Da
Monoisotopic Mass: 1.4
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]+	181.08592	135.9
[M+Na]+	203.06786	149.1
[M+NH4]+	198.11246	145.0
[M+K]+	219.04180	143.3
[M-H]-	179.07136	140.9
[M+Na-2H]-	201.05331	141.1
[M]+	180.07809	139.2
[M]-	180.07919	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe