CID 20087

2,6-di-tert-butyl-4-ethylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
InChIKey
BVUXDWXKPROUDO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-ethylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

33535
Patents

234.19836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 159.3
[M+Na]+ 257.18758 171.4
[M+NH4]+ 252.23218 167.1
[M+K]+ 273.16152 165.6
[M-H]- 233.19108 160.4
[M+Na-2H]- 255.17303 164.5
[M]+ 234.19781 161.6
[M]- 234.19891 161.6
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