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
2
Annotation Hits

0
References

10
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 163.4
[M+Na]+ 291.13555 169.8
[M-H]- 267.13905 174.1
[M+NH4]+ 286.18015 178.7
[M+K]+ 307.10949 168.5
[M+H-H2O]+ 251.14359 155.0
[M+HCOO]- 313.14453 182.1
[M+CH3COO]- 327.16018 175.4
[M+Na-2H]- 289.12100 169.7
[M]+ 268.14578 162.1
[M]- 268.14688 162.1
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