CID 12569542

Ethyl 3-hydroxy-4-methoxy-mandelate

Structural Information

Molecular Formula
C11H14O5
SMILES
CCOC(=O)C(C1=CC(=C(C=C1)OC)O)O
InChI
InChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,12-13H,3H2,1-2H3
InChIKey
TVPGKWGQPSIRLU-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.08412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 148.4
[M+Na]+ 249.07334 158.6
[M+NH4]+ 244.11794 154.2
[M+K]+ 265.04728 155.3
[M-H]- 225.07684 147.5
[M+Na-2H]- 247.05879 151.8
[M]+ 226.08357 149.2
[M]- 226.08467 149.2
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