CID 90884

23147-57-1

Structural Information

Molecular Formula
C8H16O4
SMILES
CC1C(OC(C(O1)(C)O)C)(C)O
InChI
InChI=1S/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3
InChIKey
DFMGATPNJMFDCR-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

176.10486 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 133.5
[M+Na]+ 199.09408 142.1
[M-H]- 175.09758 136.6
[M+NH4]+ 194.13868 154.5
[M+K]+ 215.06802 143.9
[M+H-H2O]+ 159.10212 130.9
[M+HCOO]- 221.10306 150.0
[M+CH3COO]- 235.11871 175.6
[M+Na-2H]- 197.07953 141.4
[M]+ 176.10431 134.3
[M]- 176.10541 134.3
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.