CID 157862

4-hydroxyphenyl fencibutirol

Structural Information

Molecular Formula
C16H22O4
SMILES
CCC(C(=O)O)C1(CCC(CC1)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H22O4/c1-2-14(15(18)19)16(20)9-7-12(8-10-16)11-3-5-13(17)6-4-11/h3-6,12,14,17,20H,2,7-10H2,1H3,(H,18,19)
InChIKey
YRFWWOZXAVNZQZ-UHFFFAOYSA-N
Compound name
2-[1-hydroxy-4-(4-hydroxyphenyl)cyclohexyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 165.8
[M+Na]+ 301.14102 175.3
[M+NH4]+ 296.18562 173.6
[M+K]+ 317.11496 169.0
[M-H]- 277.14452 167.1
[M+Na-2H]- 299.12647 171.1
[M]+ 278.15125 167.4
[M]- 278.15235 167.4
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.