CID 3848

Dl-3-phenyllactic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChIKey

VOXXWSYKYCBWHO-UHFFFAOYSA-N

Compound name

2-hydroxy-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 169
References: 7699
Patents: 166.06299 Da
Monoisotopic Mass: 1.1
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]+	167.07027	134.3
[M+Na]+	189.05221	145.2
[M+NH4]+	184.09681	141.6
[M+K]+	205.02615	140.8
[M-H]-	165.05571	134.5
[M+Na-2H]-	187.03766	139.7
[M]+	166.06244	135.6
[M]-	166.06354	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe