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 147.8
[M+Na]+ 263.05261 155.4
[M-H]- 239.05611 150.5
[M+NH4]+ 258.09721 164.7
[M+K]+ 279.02655 155.4
[M+H-H2O]+ 223.06065 141.6
[M+HCOO]- 285.06159 169.9
[M+CH3COO]- 299.07724 188.9
[M+Na-2H]- 261.03806 150.9
[M]+ 240.06284 153.3
[M]- 240.06394 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