CID 21261964

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

Structural Information

Molecular Formula
C6H8O4
SMILES
CC1C(=O)OC(=O)C(O1)C
InChI
InChI=1S/C6H8O4/c1-3-5(7)10-6(8)4(2)9-3/h3-4H,1-2H3
InChIKey
SVIAAUKJQZPUCA-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,4-dioxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 125.2
[M+Na]+ 167.03147 137.1
[M+NH4]+ 162.07607 132.7
[M+K]+ 183.00541 133.5
[M-H]- 143.03497 128.4
[M+Na-2H]- 165.01692 128.5
[M]+ 144.04170 127.6
[M]- 144.04280 127.6
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