CID 13153078

Brn 5948595

Structural Information

Molecular Formula
C17H24O3
SMILES
CC(C)(C(C1=CC=C(C=C1)C2CCCCC2)C(=O)O)O
InChI
InChI=1S/C17H24O3/c1-17(2,20)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,20H,3-7H2,1-2H3,(H,18,19)
InChIKey
DYYNYVZOIFWCKN-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 166.3
[M+Na]+ 299.16177 175.8
[M+NH4]+ 294.20637 173.2
[M+K]+ 315.13571 171.2
[M-H]- 275.16527 168.0
[M+Na-2H]- 297.14722 171.0
[M]+ 276.17200 167.9
[M]- 276.17310 167.9
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.