CID 3018376

Ethyl 2-formyl-3-(3,4,5-trimethoxyphenyl)propionate

Structural Information

Molecular Formula
C15H20O6
SMILES
CCOC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)C=O
InChI
InChI=1S/C15H20O6/c1-5-21-15(17)11(9-16)6-10-7-12(18-2)14(20-4)13(8-10)19-3/h7-9,11H,5-6H2,1-4H3
InChIKey
ODVAHXXEWDFYCX-UHFFFAOYSA-N
Compound name
ethyl 2-formyl-3-(3,4,5-trimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

296.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.133256 164.8
[M+Na]+ 319.115198 172.1
[M-H]- 295.118704 168.6
[M+NH4]+ 314.159803 180.5
[M+K]+ 335.089138 172.1
[M+H-H2O]+ 279.123240 158.0
[M+HCOO]- 341.124181 187.1
[M+CH3COO]- 355.139831 204.6
[M+Na-2H]- 317.100646 165.7
[M]+ 296.12543142 174.1
[M]- 296.12652858 174.1
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