CID 2763470

5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Structural Information

Molecular Formula
C8H10O5
SMILES
CC(=O)C1C(=O)OC(OC1=O)(C)C
InChI
InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h5H,1-3H3
InChIKey
BTJDMDJIAAHSRG-UHFFFAOYSA-N
Compound name
5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

186.05283 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 131.3
[M+Na]+ 209.042048 140.4
[M-H]- 185.045554 137.0
[M+NH4]+ 204.086653 150.8
[M+K]+ 225.015988 142.9
[M+H-H2O]+ 169.050090 127.5
[M+HCOO]- 231.051031 150.8
[M+CH3COO]- 245.066681 181.5
[M+Na-2H]- 207.027496 137.9
[M]+ 186.05228142 134.1
[M]- 186.05337858 134.1
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

patents stripe