CID 12282984

Tetramethyl-1,4-dioxane-2,6-dione

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(C(=O)OC(=O)C(O1)(C)C)C
InChI
InChI=1S/C8H12O4/c1-7(2)5(9)11-6(10)8(3,4)12-7/h1-4H3
InChIKey
CGVYQNFYKAABLQ-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethyl-1,4-dioxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 127.0
[M+Na]+ 195.06278 137.0
[M-H]- 171.06628 133.0
[M+NH4]+ 190.10738 149.4
[M+K]+ 211.03672 139.5
[M+H-H2O]+ 155.07082 124.2
[M+HCOO]- 217.07176 147.0
[M+CH3COO]- 231.08741 179.0
[M+Na-2H]- 193.04823 136.1
[M]+ 172.07301 130.1
[M]- 172.07411 130.1
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

No patent data available for this compound.