CID 156052

Furapiole

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

CC1CC2=CC3=C(C(=C2O1)OC)OCO3

InChI

InChI=1S/C11H12O4/c1-6-3-7-4-8-10(14-5-13-8)11(12-2)9(7)15-6/h4,6H,3,5H2,1-2H3

InChIKey

QHNWPNSDEURBAD-UHFFFAOYSA-N

Compound name

4-methoxy-6-methyl-6,7-dihydrofuro[3,2-f][1,3]benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.07356 Da
Monoisotopic Mass: 2.1
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]+	209.08084	140.7
[M+Na]+	231.06278	150.7
[M-H]-	207.06628	148.6
[M+NH4]+	226.10738	161.8
[M+K]+	247.03672	152.3
[M+H-H2O]+	191.07082	137.8
[M+HCOO]-	253.07176	160.8
[M+CH3COO]-	267.08741	155.7
[M+Na-2H]-	229.04823	147.3
[M]+	208.07301	146.4
[M]-	208.07411	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.