CID 4675151

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC(C1=CC2=C(C=C1)OCCO2)O

InChI

InChI=1S/C10H12O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7,11H,4-5H2,1H3

InChIKey

QSYTYSANYGEBEZ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
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	136.1
[M+Na]+	203.06786	148.9
[M+NH4]+	198.11246	145.0
[M+K]+	219.04180	143.9
[M-H]-	179.07136	140.8
[M+Na-2H]-	201.05331	140.9
[M]+	180.07809	139.3
[M]-	180.07919	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe