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 161.5
[M+Na]+ 287.12539 166.5
[M-H]- 263.12889 168.6
[M+NH4]+ 282.16999 178.6
[M+K]+ 303.09933 167.2
[M+H-H2O]+ 247.13343 155.3
[M+HCOO]- 309.13437 181.6
[M+CH3COO]- 323.15002 192.8
[M+Na-2H]- 285.11084 166.2
[M]+ 264.13562 164.7
[M]- 264.13672 164.7
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

patents stripe