CID 5095008

2-ethoxy-2-methyl-1,3-benzodioxole

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCOC1(OC2=CC=CC=C2O1)C

InChI

InChI=1S/C10H12O3/c1-3-11-10(2)12-8-6-4-5-7-9(8)13-10/h4-7H,3H2,1-2H3

InChIKey

CIRZUFDZFFLOOU-UHFFFAOYSA-N

Compound name

2-ethoxy-2-methyl-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 180.07864 Da
Monoisotopic Mass: 2.3
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	134.9
[M+Na]+	203.06786	147.7
[M+NH4]+	198.11246	145.5
[M+K]+	219.04180	142.0
[M-H]-	179.07136	139.6
[M+Na-2H]-	201.05331	141.2
[M]+	180.07809	138.3
[M]-	180.07919	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe