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

144
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 131.3
[M+Na]+ 209.04205 140.4
[M-H]- 185.04555 137.0
[M+NH4]+ 204.08665 150.8
[M+K]+ 225.01599 142.9
[M+H-H2O]+ 169.05009 127.5
[M+HCOO]- 231.05103 150.8
[M+CH3COO]- 245.06668 181.5
[M+Na-2H]- 207.02750 137.9
[M]+ 186.05228 134.1
[M]- 186.05338 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