CID 344492

2'-hydroxy-3',4',6'-trimethoxyacetophenone

Structural Information

Molecular Formula
C11H14O5
SMILES
CC(=O)C1=C(C(=C(C=C1OC)OC)OC)O
InChI
InChI=1S/C11H14O5/c1-6(12)9-7(14-2)5-8(15-3)11(16-4)10(9)13/h5,13H,1-4H3
InChIKey
WLTFZNFPHXCIAO-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

226.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.091396 144.7
[M+Na]+ 249.073338 154.3
[M-H]- 225.076844 148.1
[M+NH4]+ 244.117943 163.1
[M+K]+ 265.047278 153.9
[M+H-H2O]+ 209.081380 139.2
[M+HCOO]- 271.082321 167.4
[M+CH3COO]- 285.097971 189.9
[M+Na-2H]- 247.058786 147.7
[M]+ 226.08357142 151.1
[M]- 226.08466858 151.1
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