CID 92012

2,6-di-tert-amyl-4-cresol

Structural Information

Molecular Formula
C17H28O
SMILES
CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)C
InChI
InChI=1S/C17H28O/c1-8-16(4,5)13-10-12(3)11-14(15(13)18)17(6,7)9-2/h10-11,18H,8-9H2,1-7H3
InChIKey
SOASHAVJCWKTKL-UHFFFAOYSA-N
Compound name
4-methyl-2,6-bis(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1142
Patents

248.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 161.0
[M+Na]+ 271.203238 168.3
[M-H]- 247.206744 163.6
[M+NH4]+ 266.247843 178.9
[M+K]+ 287.177178 165.3
[M+H-H2O]+ 231.211280 156.3
[M+HCOO]- 293.212221 178.5
[M+CH3COO]- 307.227871 199.3
[M+Na-2H]- 269.188686 164.2
[M]+ 248.21347142 163.7
[M]- 248.21456858 163.7
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

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