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 166.0
[M+Na]+ 301.14102 169.7
[M-H]- 277.14452 167.9
[M+NH4]+ 296.18562 181.5
[M+K]+ 317.11496 166.5
[M+H-H2O]+ 261.14906 160.1
[M+HCOO]- 323.15000 179.8
[M+CH3COO]- 337.16565 192.8
[M+Na-2H]- 299.12647 166.1
[M]+ 278.15125 161.0
[M]- 278.15235 161.0
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.