CID 285542

150114-69-5

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

45
Patents

224.06847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 143.2
[M+Na]+ 247.057688 152.6
[M-H]- 223.061194 147.7
[M+NH4]+ 242.102293 161.9
[M+K]+ 263.031628 152.4
[M+H-H2O]+ 207.065730 137.3
[M+HCOO]- 269.066671 167.7
[M+CH3COO]- 283.082321 190.3
[M+Na-2H]- 245.043136 147.4
[M]+ 224.06792142 150.3
[M]- 224.06901858 150.3
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