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

1472
Patents

248.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 163.5
[M+Na]+ 271.20324 175.4
[M+NH4]+ 266.24784 171.1
[M+K]+ 287.17718 169.3
[M-H]- 247.20674 164.6
[M+Na-2H]- 269.18869 168.4
[M]+ 248.21347 165.7
[M]- 248.21457 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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