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]+ 277.179826 165.9
[M+Na]+ 299.161768 168.2
[M-H]- 275.165274 168.6
[M+NH4]+ 294.206373 180.0
[M+K]+ 315.135708 165.2
[M+H-H2O]+ 259.169810 159.5
[M+HCOO]- 321.170751 179.2
[M+CH3COO]- 335.186401 195.6
[M+Na-2H]- 297.147216 166.4
[M]+ 276.17200142 160.4
[M]- 276.17309858 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.