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
3
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]+ 193.122316 142.0
[M+Na]+ 215.104258 148.5
[M-H]- 191.107764 149.8
[M+NH4]+ 210.148863 159.0
[M+K]+ 231.078198 148.9
[M+H-H2O]+ 175.112300 135.5
[M+HCOO]- 237.113241 161.4
[M+CH3COO]- 251.128891 183.5
[M+Na-2H]- 213.089706 148.6
[M]+ 192.11449142 141.0
[M]- 192.11558858 141.0
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.