CID 55594

2,4-bis(carbethoxymethoxy)acetophenone

Structural Information

Molecular Formula
C16H20O7
SMILES
CCOC(=O)COC1=CC(=C(C=C1)C(=O)C)OCC(=O)OCC
InChI
InChI=1S/C16H20O7/c1-4-20-15(18)9-22-12-6-7-13(11(3)17)14(8-12)23-10-16(19)21-5-2/h6-8H,4-5,9-10H2,1-3H3
InChIKey
YLMAFCHDHZMCBE-UHFFFAOYSA-N
Compound name
ethyl 2-[4-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.1209 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12818 172.4
[M+Na]+ 347.11012 181.4
[M+NH4]+ 342.15472 176.2
[M+K]+ 363.08406 178.2
[M-H]- 323.11362 170.6
[M+Na-2H]- 345.09557 174.4
[M]+ 324.12035 172.7
[M]- 324.12145 172.7
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