CID 95632

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

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1CC(OC(O1)C2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H18O2/c1-10-9-13(2,3)15-12(14-10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3
InChIKey
OHAGICGDFQGNHT-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-phenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

206.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 145.6
[M+Na]+ 229.11990 159.8
[M+NH4]+ 224.16450 156.5
[M+K]+ 245.09384 151.3
[M-H]- 205.12340 153.1
[M+Na-2H]- 227.10535 154.3
[M]+ 206.13013 150.1
[M]- 206.13123 150.1
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

patents stripe