CID 43186907

62849-03-0

Structural Information

Molecular Formula
C13H12O6
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C13H12O6/c1-2-17-13(16)10(15)6-9(14)8-3-4-11-12(5-8)19-7-18-11/h3-5H,2,6-7H2,1H3
InChIKey
ZYJILSFACFQGEV-UHFFFAOYSA-N
Compound name
ethyl 4-(1,3-benzodioxol-5-yl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07068 155.4
[M+Na]+ 287.05262 164.9
[M+NH4]+ 282.09722 161.0
[M+K]+ 303.02656 164.2
[M-H]- 263.05612 157.0
[M+Na-2H]- 285.03807 156.6
[M]+ 264.06285 156.8
[M]- 264.06395 156.8
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.