CID 275621

Potassium 5-hydroxy-5-phenylpentanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1=CC=C(C=C1)C(CCCC(=O)O)O

InChI

InChI=1S/C11H14O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)

InChIKey

NUYDHIAZJRTXQB-UHFFFAOYSA-N

Compound name

5-hydroxy-5-phenylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 194.0943 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.10158	143.3
[M+Na]+	217.08352	153.7
[M+NH4]+	212.12812	150.3
[M+K]+	233.05746	148.9
[M-H]-	193.08702	143.4
[M+Na-2H]-	215.06897	148.1
[M]+	194.09375	144.5
[M]-	194.09485	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe