CID 140921

3,3,6,6-tetramethyl-1,2-dioxane

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1(CCC(OO1)(C)C)C
InChI
InChI=1S/C8H16O2/c1-7(2)5-6-8(3,4)10-9-7/h5-6H2,1-4H3
InChIKey
KWGQMMAUPVIDIG-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyldioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

144.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 127.0
[M+Na]+ 167.10426 134.6
[M-H]- 143.10776 132.3
[M+NH4]+ 162.14886 150.2
[M+K]+ 183.07820 137.4
[M+H-H2O]+ 127.11230 123.7
[M+HCOO]- 189.11324 146.2
[M+CH3COO]- 203.12889 174.0
[M+Na-2H]- 165.08971 136.8
[M]+ 144.11449 127.6
[M]- 144.11559 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