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

25
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 123.3
[M+Na]+ 167.031468 132.4
[M-H]- 143.034974 128.9
[M+NH4]+ 162.076073 142.7
[M+K]+ 183.005408 134.6
[M+H-H2O]+ 127.039510 118.8
[M+HCOO]- 189.040451 144.1
[M+CH3COO]- 203.056101 173.5
[M+Na-2H]- 165.016916 130.5
[M]+ 144.04170142 124.8
[M]- 144.04279858 124.8
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