CID 11107707

2-(p-tert-butylphenoxy)cyclohexanol

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(C)(C)C1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2O
InChI
InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKey
FTIXUILRMBSXNS-HUUCEWRRSA-N
Compound name
(1R,2R)-2-(4-tert-butylphenoxy)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

23
Patents

248.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 159.8
[M+Na]+ 271.16685 164.4
[M-H]- 247.17035 164.5
[M+NH4]+ 266.21145 176.5
[M+K]+ 287.14079 161.5
[M+H-H2O]+ 231.17489 153.3
[M+HCOO]- 293.17583 176.6
[M+CH3COO]- 307.19148 192.6
[M+Na-2H]- 269.15230 162.8
[M]+ 248.17708 156.6
[M]- 248.17818 156.6
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

patents stripe