CID 4736883

Methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C13H12O6
SMILES
COC(=O)C(=O)CC(=O)C1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C13H12O6/c1-17-13(16)10(15)7-9(14)8-2-3-11-12(6-8)19-5-4-18-11/h2-3,6H,4-5,7H2,1H3
InChIKey
YFHDIUJBCCTRSM-UHFFFAOYSA-N
Compound name
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07068 154.6
[M+Na]+ 287.05262 165.2
[M+NH4]+ 282.09722 160.5
[M+K]+ 303.02656 162.3
[M-H]- 263.05612 156.9
[M+Na-2H]- 285.03807 156.9
[M]+ 264.06285 156.4
[M]- 264.06395 156.4
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.