CID 146167

Danielone

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)CO
InChI
InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3
InChIKey
ZTBAPEIDNUHRNC-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

118
Patents

212.06847 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.6
[M+Na]+ 235.05769 154.7
[M+NH4]+ 230.10229 149.6
[M+K]+ 251.03163 151.0
[M-H]- 211.06119 143.0
[M+Na-2H]- 233.04314 147.4
[M]+ 212.06792 144.7
[M]- 212.06902 144.7
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