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 142.0
[M+Na]+ 215.10426 148.5
[M-H]- 191.10776 149.8
[M+NH4]+ 210.14886 159.0
[M+K]+ 231.07820 148.9
[M+H-H2O]+ 175.11230 135.5
[M+HCOO]- 237.11324 161.4
[M+CH3COO]- 251.12889 183.5
[M+Na-2H]- 213.08971 148.6
[M]+ 192.11449 141.0
[M]- 192.11559 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.