CID 76443

3044-56-2

Structural Information

Molecular Formula
C14H18O6
SMILES
CCOC(=O)CC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3
InChIKey
VEYNISLTHXQSGU-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

282.11035 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11763 160.1
[M+Na]+ 305.09957 167.8
[M-H]- 281.10307 164.0
[M+NH4]+ 300.14417 176.3
[M+K]+ 321.07351 168.0
[M+H-H2O]+ 265.10761 153.4
[M+HCOO]- 327.10855 182.7
[M+CH3COO]- 341.12420 201.6
[M+Na-2H]- 303.08502 161.5
[M]+ 282.10980 169.0
[M]- 282.11090 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe