CID 40045

Alpha-methyl-3-biphenylacetic acid

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

CC(C1=CC=CC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H14O2/c1-11(15(16)17)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-11H,1H3,(H,16,17)

InChIKey

OQMCVCHIWJWEHF-UHFFFAOYSA-N

Compound name

2-(3-phenylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 226.09938 Da
Monoisotopic Mass: 3.6
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]+	227.10666	151.2
[M+Na]+	249.08860	165.3
[M+NH4]+	244.13320	159.8
[M+K]+	265.06254	158.3
[M-H]-	225.09210	155.2
[M+Na-2H]-	247.07405	160.2
[M]+	226.09883	154.4
[M]-	226.09993	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe