CID 170412

2,4-dimethyl-6-phenyl-1,3-dioxane

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1CC(OC(O1)C)C2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c1-9-8-12(14-10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey
UHICLWNLEIHLGS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-phenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.6
[M+Na]+ 215.10426 155.9
[M+NH4]+ 210.14886 151.2
[M+K]+ 231.07820 149.3
[M-H]- 191.10776 149.1
[M+Na-2H]- 213.08971 149.0
[M]+ 192.11449 146.0
[M]- 192.11559 146.0
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.