CID 2724050

4-(ethoxycarbonyl)-3,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C12H14O6
SMILES
CCOC(=O)C1=C(C=C(C=C1OC)C(=O)O)OC
InChI
InChI=1S/C12H14O6/c1-4-18-12(15)10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKey
VZUQFEJRUITTHS-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyl-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.07904 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08632 153.8
[M+Na]+ 277.06826 164.3
[M+NH4]+ 272.11286 158.9
[M+K]+ 293.04220 161.2
[M-H]- 253.07176 152.7
[M+Na-2H]- 275.05371 156.9
[M]+ 254.07849 154.6
[M]- 254.07959 154.6
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