CID 3069707

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

Structural Information

Molecular Formula
C19H20O3
SMILES
C1CCC(C1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C19H20O3/c20-18(21)17(19(22)12-4-5-13-19)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,17,22H,4-5,12-13H2,(H,20,21)
InChIKey
UBDNMXNAJIUKJC-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclopentyl)-2-(4-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 171.3
[M+Na]+ 319.13046 175.5
[M-H]- 295.13396 178.0
[M+NH4]+ 314.17506 187.9
[M+K]+ 335.10440 171.0
[M+H-H2O]+ 279.13850 164.2
[M+HCOO]- 341.13944 189.1
[M+CH3COO]- 355.15509 196.2
[M+Na-2H]- 317.11591 171.6
[M]+ 296.14069 166.8
[M]- 296.14179 166.8
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.