CID 52920333

5-(3,5-dihydroxyphenyl)-4-hydroxyvaleric acid

Structural Information

Molecular Formula
C11H14O5
SMILES
C1=C(C=C(C=C1O)O)CC(CCC(=O)O)O
InChI
InChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)
InChIKey
QKRQBODPNMXFLS-UHFFFAOYSA-N
Compound name
5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

226.08412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 149.4
[M+Na]+ 249.07334 158.4
[M+NH4]+ 244.11794 154.4
[M+K]+ 265.04728 155.7
[M-H]- 225.07684 147.4
[M+Na-2H]- 247.05879 151.5
[M]+ 226.08357 149.6
[M]- 226.08467 149.6
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