CID 83289

2-hexyl-5,5-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCC1OCC(CO1)(C)C
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-11-13-9-12(2,3)10-14-11/h11H,4-10H2,1-3H3
InChIKey
VWWWESAUUDUBMA-UHFFFAOYSA-N
Compound name
2-hexyl-5,5-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 148.4
[M+Na]+ 223.166848 153.4
[M-H]- 199.170354 152.4
[M+NH4]+ 218.211453 167.2
[M+K]+ 239.140788 154.7
[M+H-H2O]+ 183.174890 143.2
[M+HCOO]- 245.175831 166.2
[M+CH3COO]- 259.191481 186.3
[M+Na-2H]- 221.152296 154.5
[M]+ 200.17708142 149.9
[M]- 200.17817858 149.9
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.