CID 105211

Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C22H38O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C22H38O/c1-19(2,3)14-22(10,11)15-12-16(20(4,5)6)18(23)17(13-15)21(7,8)9/h12-13,23H,14H2,1-11H3
InChIKey
VDOJQPKPGQMNDA-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

318.29227 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.299546 179.0
[M+Na]+ 341.281488 185.2
[M-H]- 317.284994 181.5
[M+NH4]+ 336.326093 194.5
[M+K]+ 357.255428 182.4
[M+H-H2O]+ 301.289530 174.8
[M+HCOO]- 363.290471 191.8
[M+CH3COO]- 377.306121 213.6
[M+Na-2H]- 339.266936 182.3
[M]+ 318.29172142 182.3
[M]- 318.29281858 182.3
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