CID 289740

Methyl 2,4,6-trimethoxybenzoate

Structural Information

Molecular Formula
C11H14O5
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)OC)OC
InChI
InChI=1S/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3
InChIKey
CEARZEQLIHOYSV-UHFFFAOYSA-N
Compound name
methyl 2,4,6-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
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 146.9
[M+Na]+ 249.07334 159.0
[M+NH4]+ 244.11794 153.5
[M+K]+ 265.04728 154.4
[M-H]- 225.07684 147.4
[M+Na-2H]- 247.05879 151.8
[M]+ 226.08357 148.6
[M]- 226.08467 148.6
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