CID 79847

5781-55-5

Structural Information

Molecular Formula
C6H6O7
SMILES
COC(=O)C(=O)OC(=O)C(=O)OC
InChI
InChI=1S/C6H6O7/c1-11-3(7)5(9)13-6(10)4(8)12-2/h1-2H3
InChIKey
JKFKZGGSAYSSBN-UHFFFAOYSA-N
Compound name
2-O-(2-methoxy-2-oxoacetyl) 1-O-methyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.01135 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.018626 131.8
[M+Na]+ 213.000568 139.5
[M-H]- 189.004074 132.7
[M+NH4]+ 208.045173 151.3
[M+K]+ 228.974508 142.3
[M+H-H2O]+ 173.008610 127.1
[M+HCOO]- 235.009551 154.3
[M+CH3COO]- 249.025201 177.4
[M+Na-2H]- 210.986016 134.6
[M]+ 190.01080142 137.6
[M]- 190.01189858 137.6
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.