CID 16033

1942-71-8

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O
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
InChIKey
FTIXUILRMBSXNS-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

77
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

literature stripe

Patent stripe

patents stripe