CID 11629690

24388-70-3

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC1C2=CC=CC=C2C(O1)OC

InChI

InChI=1S/C10H12O3/c1-11-9-7-5-3-4-6-8(7)10(12-2)13-9/h3-6,9-10H,1-2H3

InChIKey

WAGIYFLDSNLPML-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-1,3-dihydro-2-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 180.07864 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]+	181.08592	134.7
[M+Na]+	203.06786	143.9
[M-H]-	179.07136	140.4
[M+NH4]+	198.11246	156.8
[M+K]+	219.04180	143.9
[M+H-H2O]+	163.07590	129.8
[M+HCOO]-	225.07684	158.0
[M+CH3COO]-	239.09249	180.4
[M+Na-2H]-	201.05331	141.8
[M]+	180.07809	138.9
[M]-	180.07919	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe