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]+ 299.12778 167.2
[M+Na]+ 321.10972 175.4
[M-H]- 297.11322 178.7
[M+NH4]+ 316.15432 183.3
[M+K]+ 337.08366 174.5
[M+H-H2O]+ 281.11776 160.1
[M+HCOO]- 343.11870 188.7
[M+CH3COO]- 357.13435 201.1
[M+Na-2H]- 319.09517 171.6
[M]+ 298.11995 170.8
[M]- 298.12105 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.