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 162.3
[M+Na]+ 293.11480 167.6
[M-H]- 269.11830 166.2
[M+NH4]+ 288.15940 176.8
[M+K]+ 309.08874 164.0
[M+H-H2O]+ 253.12284 155.6
[M+HCOO]- 315.12378 179.9
[M+CH3COO]- 329.13943 194.5
[M+Na-2H]- 291.10025 165.6
[M]+ 270.12503 161.0
[M]- 270.12613 161.0
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.