CID 11971167

2-(1,1-dimethyl-2-phenylethyl)-1,3-dioxane

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)(CC1=CC=CC=C1)C2OCCCO2
InChI
InChI=1S/C14H20O2/c1-14(2,13-15-9-6-10-16-13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKey
XLBGULCFJZYKKW-UHFFFAOYSA-N
Compound name
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 150.6
[M+Na]+ 243.135548 154.8
[M-H]- 219.139054 157.5
[M+NH4]+ 238.180153 165.9
[M+K]+ 259.109488 155.1
[M+H-H2O]+ 203.143590 143.9
[M+HCOO]- 265.144531 167.8
[M+CH3COO]- 279.160181 187.6
[M+Na-2H]- 241.120996 158.2
[M]+ 220.14578142 149.1
[M]- 220.14687858 149.1
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

No patent data available for this compound.