CID 91198

1,3-dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-

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 155.1
[M+Na]+ 257.15121 161.0
[M-H]- 233.15471 162.8
[M+NH4]+ 252.19581 172.4
[M+K]+ 273.12515 161.5
[M+H-H2O]+ 217.15925 148.7
[M+HCOO]- 279.16019 172.5
[M+CH3COO]- 293.17584 193.0
[M+Na-2H]- 255.13666 159.9
[M]+ 234.16144 154.9
[M]- 234.16254 154.9
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