CID 22346233

3,5-dimethoxymandelic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1)C(C(=O)O)O)OC
InChI
InChI=1S/C10H12O5/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9,11H,1-2H3,(H,12,13)
InChIKey
WVZWBFAZRSHDQA-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

212.06847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.8
[M+Na]+ 235.05769 154.2
[M+NH4]+ 230.10229 149.7
[M+K]+ 251.03163 151.1
[M-H]- 211.06119 142.9
[M+Na-2H]- 233.04314 147.5
[M]+ 212.06792 144.7
[M]- 212.06902 144.7
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