CID 55595

2,5-bis(carbethoxymethoxy)acetophenone

Structural Information

Molecular Formula
C16H20O7
SMILES
CCOC(=O)COC1=CC(=C(C=C1)OCC(=O)OCC)C(=O)C
InChI
InChI=1S/C16H20O7/c1-4-20-15(18)9-22-12-6-7-14(13(8-12)11(3)17)23-10-16(19)21-5-2/h6-8H,4-5,9-10H2,1-3H3
InChIKey
ZUJCBFWOMNMMME-UHFFFAOYSA-N
Compound name
ethyl 2-[3-acetyl-4-(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 171.4
[M+Na]+ 347.11012 177.2
[M-H]- 323.11362 174.6
[M+NH4]+ 342.15472 185.3
[M+K]+ 363.08406 177.5
[M+H-H2O]+ 307.11816 164.0
[M+HCOO]- 369.11910 192.7
[M+CH3COO]- 383.13475 207.8
[M+Na-2H]- 345.09557 171.4
[M]+ 324.12035 180.6
[M]- 324.12145 180.6
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