CID 285542

2-oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C=O
InChI
InChI=1S/C11H12O5/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-6H,1-3H3
InChIKey
OWONHIWZFXFPFS-UHFFFAOYSA-N
Compound name
2-oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

43
Patents

224.06847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 145.9
[M+Na]+ 247.05769 158.0
[M+NH4]+ 242.10229 152.3
[M+K]+ 263.03163 153.4
[M-H]- 223.06119 146.2
[M+Na-2H]- 245.04314 150.7
[M]+ 224.06792 147.5
[M]- 224.06902 147.5
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