CID 229761

4-(3,4-dimethoxy-benzoyl)-dihydro-furan-2-one

Structural Information

Molecular Formula
C13H14O5
SMILES
COC1=C(C=C(C=C1)C(=O)C2CC(=O)OC2)OC
InChI
InChI=1S/C13H14O5/c1-16-10-4-3-8(5-11(10)17-2)13(15)9-6-12(14)18-7-9/h3-5,9H,6-7H2,1-2H3
InChIKey
MKWYWISNPJGVLR-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxybenzoyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 151.9
[M+Na]+ 273.07334 159.6
[M-H]- 249.07684 159.7
[M+NH4]+ 268.11794 169.6
[M+K]+ 289.04728 159.6
[M+H-H2O]+ 233.08138 145.8
[M+HCOO]- 295.08232 174.1
[M+CH3COO]- 309.09797 192.7
[M+Na-2H]- 271.05879 154.1
[M]+ 250.08357 155.6
[M]- 250.08467 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.