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]+ 241.07067 149.8
[M+Na]+ 263.05261 160.1
[M+NH4]+ 258.09721 155.0
[M+K]+ 279.02655 156.9
[M-H]- 239.05611 148.6
[M+Na-2H]- 261.03806 153.3
[M]+ 240.06284 150.5
[M]- 240.06394 150.5
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