CID 88530

20416-12-0

Structural Information

Molecular Formula
C15H20O4
SMILES
CCOC(=O)CCC1(OCCO1)CC2=CC=CC=C2
InChI
InChI=1S/C15H20O4/c1-2-17-14(16)8-9-15(18-10-11-19-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
XHEBDDMCCQGYRQ-UHFFFAOYSA-N
Compound name
ethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 161.2
[M+Na]+ 287.12539 171.8
[M+NH4]+ 282.16999 169.8
[M+K]+ 303.09933 166.3
[M-H]- 263.12889 166.0
[M+Na-2H]- 285.11084 167.2
[M]+ 264.13562 164.1
[M]- 264.13672 164.1
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.