CID 79535

4-tert-butyl-2-cyclohexylphenol

Structural Information

Molecular Formula
C16H24O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)C2CCCCC2
InChI
InChI=1S/C16H24O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h9-12,17H,4-8H2,1-3H3
InChIKey
PDFWQXMLRLJXAQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

232.18271 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 156.3
[M+Na]+ 255.171928 161.0
[M-H]- 231.175434 161.0
[M+NH4]+ 250.216533 173.8
[M+K]+ 271.145868 157.5
[M+H-H2O]+ 215.179970 150.1
[M+HCOO]- 277.180911 172.9
[M+CH3COO]- 291.196561 190.5
[M+Na-2H]- 253.157376 159.3
[M]+ 232.18216142 151.7
[M]- 232.18325858 151.7
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