CID 113124

1-(2,4,5-triethoxyphenyl)ethanone

Structural Information

Molecular Formula
C14H20O4
SMILES
CCOC1=CC(=C(C=C1C(=O)C)OCC)OCC
InChI
InChI=1S/C14H20O4/c1-5-16-12-9-14(18-7-3)13(17-6-2)8-11(12)10(4)15/h8-9H,5-7H2,1-4H3
InChIKey
PXBWCOGDYXMWMC-UHFFFAOYSA-N
Compound name
1-(2,4,5-triethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1
Patents

252.13615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 156.3
[M+Na]+ 275.12537 164.2
[M-H]- 251.12887 160.1
[M+NH4]+ 270.16997 174.0
[M+K]+ 291.09931 163.2
[M+H-H2O]+ 235.13341 149.9
[M+HCOO]- 297.13435 179.3
[M+CH3COO]- 311.15000 198.0
[M+Na-2H]- 273.11082 158.7
[M]+ 252.13560 163.7
[M]- 252.13670 163.7
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