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

2
Patents

264.13617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 161.5
[M+Na]+ 287.125388 166.5
[M-H]- 263.128894 168.6
[M+NH4]+ 282.169993 178.6
[M+K]+ 303.099328 167.2
[M+H-H2O]+ 247.133430 155.3
[M+HCOO]- 309.134371 181.6
[M+CH3COO]- 323.150021 192.8
[M+Na-2H]- 285.110836 166.2
[M]+ 264.13562142 164.7
[M]- 264.13671858 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