CID 11971241

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

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)(CC1=CC=CC=C1)C2OCCO2
InChI
InChI=1S/C13H18O2/c1-13(2,12-14-8-9-15-12)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
OTUUNSFDBLUQAF-UHFFFAOYSA-N
Compound name
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.1
[M+Na]+ 229.119898 151.7
[M-H]- 205.123404 153.5
[M+NH4]+ 224.164503 164.0
[M+K]+ 245.093838 152.1
[M+H-H2O]+ 189.127940 140.6
[M+HCOO]- 251.128881 165.8
[M+CH3COO]- 265.144531 184.2
[M+Na-2H]- 227.105346 152.9
[M]+ 206.13013142 146.5
[M]- 206.13122858 146.5
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

No patent data available for this compound.