CID 97844

68555-33-9

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1CC(OC(O1)C2=CC=C(C=C2)C(C)C)(C)C
InChI
InChI=1S/C16H24O2/c1-11(2)13-6-8-14(9-7-13)15-17-12(3)10-16(4,5)18-15/h6-9,11-12,15H,10H2,1-5H3
InChIKey
PDVNVZULPFBIIB-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

248.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 158.7
[M+Na]+ 271.16685 172.3
[M+NH4]+ 266.21145 169.0
[M+K]+ 287.14079 164.1
[M-H]- 247.17035 165.9
[M+Na-2H]- 269.15230 166.1
[M]+ 248.17708 163.1
[M]- 248.17818 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.