CID 14472849

32856-59-0

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC1=CC=C(C=C1)C2CC(=O)OC2=O

InChI

InChI=1S/C11H10O4/c1-14-8-4-2-7(3-5-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3

InChIKey

GPNZEDFJEGABFE-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)oxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 206.0579 Da
Monoisotopic Mass: 1.2
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]+	207.06518	141.7
[M+Na]+	229.04712	154.1
[M+NH4]+	224.09172	149.5
[M+K]+	245.02106	150.7
[M-H]-	205.05062	145.6
[M+Na-2H]-	227.03257	147.3
[M]+	206.05735	144.4
[M]-	206.05845	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe