CID 77546

Ethyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCOC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3
InChIKey
AYYNUGSDPRDVCH-UHFFFAOYSA-N
Compound name
ethyl 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

226
Patents

210.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.3
[M+Na]+ 233.07842 156.5
[M+NH4]+ 228.12302 151.6
[M+K]+ 249.05236 151.2
[M-H]- 209.08192 145.3
[M+Na-2H]- 231.06387 149.9
[M]+ 210.08865 146.2
[M]- 210.08975 146.2
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