CID 64920

95711-60-7

Structural Information

Molecular Formula
C18H26O3
SMILES
CC(C)C(CC(=O)O)(C1=CC=C(C=C1)C2CCCCC2)O
InChI
InChI=1S/C18H26O3/c1-13(2)18(21,12-17(19)20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,21H,3-7,12H2,1-2H3,(H,19,20)
InChIKey
YKKFKTBNGFGSDR-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 170.5
[M+Na]+ 313.17742 172.3
[M-H]- 289.18092 172.9
[M+NH4]+ 308.22202 184.0
[M+K]+ 329.15136 169.1
[M+H-H2O]+ 273.18546 163.8
[M+HCOO]- 335.18640 183.4
[M+CH3COO]- 349.20205 198.6
[M+Na-2H]- 311.16287 170.4
[M]+ 290.18765 165.3
[M]- 290.18875 165.3
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.