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]+ 279.159076 166.0
[M+Na]+ 301.141018 169.7
[M-H]- 277.144524 167.9
[M+NH4]+ 296.185623 181.5
[M+K]+ 317.114958 166.5
[M+H-H2O]+ 261.149060 160.1
[M+HCOO]- 323.150001 179.8
[M+CH3COO]- 337.165651 192.8
[M+Na-2H]- 299.126466 166.1
[M]+ 278.15125142 161.0
[M]- 278.15234858 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.