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
3
Annotation Hits

0
References

36
Patents

144.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 127.0
[M+Na]+ 167.104258 134.6
[M-H]- 143.107764 132.3
[M+NH4]+ 162.148863 150.2
[M+K]+ 183.078198 137.4
[M+H-H2O]+ 127.112300 123.7
[M+HCOO]- 189.113241 146.2
[M+CH3COO]- 203.128891 174.0
[M+Na-2H]- 165.089706 136.8
[M]+ 144.11449142 127.6
[M]- 144.11558858 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