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: 14
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]+	207.065176	139.5
[M+Na]+	229.047118	148.5
[M-H]-	205.050624	147.5
[M+NH4]+	224.091723	159.1
[M+K]+	245.021058	147.9
[M+H-H2O]+	189.055160	133.9
[M+HCOO]-	251.056101	163.2
[M+CH3COO]-	265.071751	183.6
[M+Na-2H]-	227.032566	143.9
[M]+	206.05735142	141.7
[M]-	206.05844858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe