CID 131832017

3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=C(C(=C1)CCC(=O)O)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKey
PLLIJHAKLDZNQC-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.1
[M+Na]+ 235.05769 154.7
[M+NH4]+ 230.10229 149.8
[M+K]+ 251.03163 151.3
[M-H]- 211.06119 143.0
[M+Na-2H]- 233.04314 147.3
[M]+ 212.06792 144.9
[M]- 212.06902 144.9
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