CID 79476

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

Structural Information

Molecular Formula
C17H28O
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C17H28O/c1-11(2)12-9-13(16(3,4)5)15(18)14(10-12)17(6,7)8/h9-11,18H,1-8H3
InChIKey
KSPSGLZRAWUOKJ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

239
Patents

248.21402 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 160.0
[M+Na]+ 271.203238 167.3
[M-H]- 247.206744 162.9
[M+NH4]+ 266.247843 178.1
[M+K]+ 287.177178 164.8
[M+H-H2O]+ 231.211280 155.6
[M+HCOO]- 293.212221 176.7
[M+CH3COO]- 307.227871 198.8
[M+Na-2H]- 269.188686 162.2
[M]+ 248.21347142 162.0
[M]- 248.21456858 162.0
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