CID 11128397

2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid

Structural Information

Molecular Formula
C11H12O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)O
InChI
InChI=1S/C11H12O6/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5H,1-3H3,(H,13,14)
InChIKey
LADJHQSUVNTXES-UHFFFAOYSA-N
Compound name
2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

240.06339 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.070666 146.5
[M+Na]+ 263.052608 155.0
[M-H]- 239.056114 149.6
[M+NH4]+ 258.097213 163.7
[M+K]+ 279.026548 155.0
[M+H-H2O]+ 223.060650 140.6
[M+HCOO]- 285.061591 168.6
[M+CH3COO]- 299.077241 190.9
[M+Na-2H]- 261.038056 149.0
[M]+ 240.06284142 152.6
[M]- 240.06393858 152.6
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