CID 155726

72471-47-7

Structural Information

Molecular Formula

C₁₄H₁₆O₅

SMILES

CC(=O)C1CC(=O)OC1C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H16O5/c1-8(15)10-7-13(16)19-14(10)9-4-5-11(17-2)12(6-9)18-3/h4-6,10,14H,7H2,1-3H3

InChIKey

UGADVQQKXGFQTG-UHFFFAOYSA-N

Compound name

4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.09976 Da
Monoisotopic Mass: 1.0
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]+	265.10704	155.9
[M+Na]+	287.08898	164.1
[M-H]-	263.09248	163.9
[M+NH4]+	282.13358	173.3
[M+K]+	303.06292	163.9
[M+H-H2O]+	247.09702	149.9
[M+HCOO]-	309.09796	177.7
[M+CH3COO]-	323.11361	197.0
[M+Na-2H]-	285.07443	157.0
[M]+	264.09921	160.4
[M]-	264.10031	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.