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

8
Annotation Hits: 170
References: 8534
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	134.0
[M+Na]+	189.05221	140.2
[M-H]-	165.05571	134.9
[M+NH4]+	184.09681	152.8
[M+K]+	205.02615	138.4
[M+H-H2O]+	149.06025	128.6
[M+HCOO]-	211.06119	154.4
[M+CH3COO]-	225.07684	173.0
[M+Na-2H]-	187.03766	138.7
[M]+	166.06244	132.4
[M]-	166.06354	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe