CID 19845

Ethyl 4-hydroxy-3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C11H14O5
SMILES
CCOC(=O)C1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C11H14O5/c1-4-16-11(13)7-5-8(14-2)10(12)9(6-7)15-3/h5-6,12H,4H2,1-3H3
InChIKey
WKUVKFZZCHINKG-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

227
Patents

226.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 145.9
[M+Na]+ 249.07334 154.6
[M-H]- 225.07684 149.0
[M+NH4]+ 244.11794 164.0
[M+K]+ 265.04728 154.1
[M+H-H2O]+ 209.08138 140.1
[M+HCOO]- 271.08232 168.7
[M+CH3COO]- 285.09797 187.9
[M+Na-2H]- 247.05879 149.5
[M]+ 226.08357 151.8
[M]- 226.08467 151.8
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