CID 21677754

2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=C(C=C1)CC(C(=O)O)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)
InChIKey
UIQJPTIJLALAGB-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

212.06847 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.4
[M+Na]+ 235.05769 154.2
[M+NH4]+ 230.10229 149.9
[M+K]+ 251.03163 151.4
[M-H]- 211.06119 143.0
[M+Na-2H]- 233.04314 147.4
[M]+ 212.06792 145.0
[M]- 212.06902 145.0
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