CID 74371

1710-55-0

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

COC1=CC=CC2=C1OCCO2

InChI

InChI=1S/C9H10O3/c1-10-7-3-2-4-8-9(7)12-6-5-11-8/h2-4H,5-6H2,1H3

InChIKey

DLMVOXMRGJFYOC-UHFFFAOYSA-N

Compound name

5-methoxy-2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 166.06299 Da
Monoisotopic Mass: 1.6
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]+	167.070266	130.0
[M+Na]+	189.052208	137.9
[M-H]-	165.055714	135.8
[M+NH4]+	184.096813	149.1
[M+K]+	205.026148	139.2
[M+H-H2O]+	149.060250	124.3
[M+HCOO]-	211.061191	150.5
[M+CH3COO]-	225.076841	176.8
[M+Na-2H]-	187.037656	140.7
[M]+	166.06244142	131.8
[M]-	166.06353858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe