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

140
Patents

186.05283 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06011 135.6
[M+Na]+ 209.04205 146.4
[M+NH4]+ 204.08665 143.2
[M+K]+ 225.01599 142.0
[M-H]- 185.04555 137.8
[M+Na-2H]- 207.02750 139.2
[M]+ 186.05228 137.6
[M]- 186.05338 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

patents stripe