CID 231162

Ethyl 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C12H16O5
SMILES
CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
InChIKey
UEOFNBCUGJADBM-UHFFFAOYSA-N
Compound name
ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

341
Patents

240.09978 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 149.8
[M+Na]+ 263.08900 158.5
[M-H]- 239.09250 154.1
[M+NH4]+ 258.13360 168.1
[M+K]+ 279.06294 158.7
[M+H-H2O]+ 223.09704 143.6
[M+HCOO]- 285.09798 173.8
[M+CH3COO]- 299.11363 193.4
[M+Na-2H]- 261.07445 153.4
[M]+ 240.09923 157.9
[M]- 240.10033 157.9
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