CID 53380

4'-methoxy-alpha-methyl-3-biphenylacetic acid

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

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

InChI

InChI=1S/C16H16O3/c1-11(16(17)18)13-4-3-5-14(10-13)12-6-8-15(19-2)9-7-12/h3-11H,1-2H3,(H,17,18)

InChIKey

IDHNIRUPVNMYEF-UHFFFAOYSA-N

Compound name

2-[3-(4-methoxyphenyl)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.10995 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]+	257.117226	157.7
[M+Na]+	279.099168	164.4
[M-H]-	255.102674	163.2
[M+NH4]+	274.143773	173.7
[M+K]+	295.073108	161.4
[M+H-H2O]+	239.107210	150.4
[M+HCOO]-	301.108151	178.7
[M+CH3COO]-	315.123801	194.8
[M+Na-2H]-	277.084616	160.4
[M]+	256.10940142	158.7
[M]-	256.11049858	158.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.