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]+ 173.080836 127.0
[M+Na]+ 195.062778 137.0
[M-H]- 171.066284 133.0
[M+NH4]+ 190.107383 149.4
[M+K]+ 211.036718 139.5
[M+H-H2O]+ 155.070820 124.2
[M+HCOO]- 217.071761 147.0
[M+CH3COO]- 231.087411 179.0
[M+Na-2H]- 193.048226 136.1
[M]+ 172.07301142 130.1
[M]- 172.07410858 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.