CID 13153078

Noname_1140

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 165.9
[M+Na]+ 299.16177 168.2
[M-H]- 275.16527 168.6
[M+NH4]+ 294.20637 180.0
[M+K]+ 315.13571 165.2
[M+H-H2O]+ 259.16981 159.5
[M+HCOO]- 321.17075 179.2
[M+CH3COO]- 335.18640 195.6
[M+Na-2H]- 297.14722 166.4
[M]+ 276.17200 160.4
[M]- 276.17310 160.4
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.