CID 91198

4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)C1C(COC(O1)C2=CC=CC=C2)(C)C
InChI
InChI=1S/C15H22O2/c1-11(2)13-15(3,4)10-16-14(17-13)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKey
KBQKRKYMBMMZIS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-phenyl-4-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 154.8
[M+Na]+ 257.15121 168.2
[M+NH4]+ 252.19581 165.2
[M+K]+ 273.12515 160.0
[M-H]- 233.15471 162.0
[M+Na-2H]- 255.13666 162.6
[M]+ 234.16144 159.1
[M]- 234.16254 159.1
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