CID 3069705

(-)-alpha-(1-hydroxycyclohexyl)-(1,1'-biphenyl)-4-acetic acid

Structural Information

Molecular Formula
C20H22O3
SMILES
C1CCC(CC1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22)
InChIKey
XYRCRRIFXONMTB-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

310.1569 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 175.7
[M+Na]+ 333.14612 188.0
[M+NH4]+ 328.19072 185.0
[M+K]+ 349.12006 179.2
[M-H]- 309.14962 180.8
[M+Na-2H]- 331.13157 185.3
[M]+ 310.15635 179.0
[M]- 310.15745 179.0
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

patents stripe