CID 175232

72894-17-8

Structural Information

Molecular Formula
C13H18O6
SMILES
CCOC(=O)C1C(C(C(=O)C1=O)(C)C(=O)OCC)C
InChI
InChI=1S/C13H18O6/c1-5-18-11(16)8-7(3)13(4,10(15)9(8)14)12(17)19-6-2/h7-8H,5-6H2,1-4H3
InChIKey
GUKROTILZBCYNM-UHFFFAOYSA-N
Compound name
diethyl 1,2-dimethyl-4,5-dioxocyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.11035 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11763 153.5
[M+Na]+ 293.09957 162.1
[M-H]- 269.10307 157.6
[M+NH4]+ 288.14417 174.3
[M+K]+ 309.07351 161.9
[M+H-H2O]+ 253.10761 150.2
[M+HCOO]- 315.10855 174.7
[M+CH3COO]- 329.12420 197.9
[M+Na-2H]- 291.08502 153.1
[M]+ 270.10980 159.3
[M]- 270.11090 159.3
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.