CID 3069701

(1,1'-biphenyl)-4-acetic acid, alpha-(1-hydroxy-1-methylethyl)-, (+)-

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(C)(C(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)O
InChI
InChI=1S/C17H18O3/c1-17(2,20)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15,20H,1-2H3,(H,18,19)
InChIKey
ZNPAJPOVURPJFD-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methyl-2-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 163.2
[M+Na]+ 293.11480 175.5
[M+NH4]+ 288.15940 170.3
[M+K]+ 309.08874 170.2
[M-H]- 269.11830 165.5
[M+Na-2H]- 291.10025 170.6
[M]+ 270.12503 165.6
[M]- 270.12613 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.