CID 11808654

5-(4-(benzyloxy)phenyl)-2,2-dimethyl-1,3-dioxolan-4-one

Structural Information

Molecular Formula
C18H18O4
SMILES
CC1(OC(C(=O)O1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C
InChI
InChI=1S/C18H18O4/c1-18(2)21-16(17(19)22-18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKey
FZGVYIJYPVMENR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.127776 167.2
[M+Na]+ 321.109718 175.4
[M-H]- 297.113224 178.7
[M+NH4]+ 316.154323 183.3
[M+K]+ 337.083658 174.5
[M+H-H2O]+ 281.117760 160.1
[M+HCOO]- 343.118701 188.7
[M+CH3COO]- 357.134351 201.1
[M+Na-2H]- 319.095166 171.6
[M]+ 298.11995142 170.8
[M]- 298.12104858 170.8
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.