CID 52920334

4-hydroxy-5-(3-hydroxyphenyl)pentanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
C1=CC(=CC(=C1)O)CC(CCC(=O)O)O
InChI
InChI=1S/C11H14O4/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10,12-13H,4-5,7H2,(H,14,15)
InChIKey
CBCIWEQMPVKOHC-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(3-hydroxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

210.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 146.1
[M+Na]+ 233.07842 151.8
[M-H]- 209.08192 145.5
[M+NH4]+ 228.12302 162.6
[M+K]+ 249.05236 149.3
[M+H-H2O]+ 193.08646 140.5
[M+HCOO]- 255.08740 164.5
[M+CH3COO]- 269.10305 179.9
[M+Na-2H]- 231.06387 148.5
[M]+ 210.08865 145.2
[M]- 210.08975 145.2
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