CID 101144

61683-99-6

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

CC1COC(O1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H12O4/c1-7-5-12-11(15-7)8-2-3-9-10(4-8)14-6-13-9/h2-4,7,11H,5-6H2,1H3

InChIKey

HXNSADTWQWLFCB-UHFFFAOYSA-N

Compound name

5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 27
Patents: 208.07356 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]+	209.080836	141.6
[M+Na]+	231.062778	149.8
[M-H]-	207.066284	151.8
[M+NH4]+	226.107383	159.6
[M+K]+	247.036718	152.5
[M+H-H2O]+	191.070820	138.3
[M+HCOO]-	253.071761	160.9
[M+CH3COO]-	267.087411	156.1
[M+Na-2H]-	229.048226	147.7
[M]+	208.07301142	144.8
[M]-	208.07410858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe