CID 53425980

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

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1(CC(OC(O1)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20O2/c1-18(2)13-16(14-9-5-3-6-10-14)19-17(20-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKey
YWZRCNNFDDESHR-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,6-diphenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 162.8
[M+Na]+ 291.13555 178.9
[M+NH4]+ 286.18015 174.0
[M+K]+ 307.10949 168.7
[M-H]- 267.13905 172.9
[M+Na-2H]- 289.12100 174.2
[M]+ 268.14578 168.5
[M]- 268.14688 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe