CID 24697008

4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoic acid

Structural Information

Molecular Formula
C11H12O6
SMILES
COC1=C(C=C(C=C1)C(=O)O)OCC(=O)OC
InChI
InChI=1S/C11H12O6/c1-15-8-4-3-7(11(13)14)5-9(8)17-6-10(12)16-2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
FEQADSXQFMGTJJ-UHFFFAOYSA-N
Compound name
4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.06339 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.070666 147.8
[M+Na]+ 263.052608 155.4
[M-H]- 239.056114 150.5
[M+NH4]+ 258.097213 164.7
[M+K]+ 279.026548 155.4
[M+H-H2O]+ 223.060650 141.6
[M+HCOO]- 285.061591 169.9
[M+CH3COO]- 299.077241 188.9
[M+Na-2H]- 261.038056 150.9
[M]+ 240.06284142 153.3
[M]- 240.06393858 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe