CID 276280

3,4,5-trimethoxyphenyl acetate

Structural Information

Molecular Formula
C11H14O5
SMILES
CC(=O)OC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C11H14O5/c1-7(12)16-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKey
ASPRESJSDRJZBN-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

226.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.091396 145.1
[M+Na]+ 249.073338 154.2
[M-H]- 225.076844 149.5
[M+NH4]+ 244.117943 163.9
[M+K]+ 265.047278 154.6
[M+H-H2O]+ 209.081380 139.1
[M+HCOO]- 271.082321 169.3
[M+CH3COO]- 285.097971 190.4
[M+Na-2H]- 247.058786 149.2
[M]+ 226.08357142 152.8
[M]- 226.08466858 152.8
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