CID 118724

2-tert-butyl-6-tert-octyl-p-cresol

Structural Information

Molecular Formula
C19H32O
SMILES
CC1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C19H32O/c1-13-10-14(18(5,6)7)16(20)15(11-13)19(8,9)12-17(2,3)4/h10-11,20H,12H2,1-9H3
InChIKey
ICDQZCSOHYBOQA-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-methyl-6-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.8
[M+Na]+ 299.23455 183.9
[M+NH4]+ 294.27915 179.8
[M+K]+ 315.20849 178.6
[M-H]- 275.23805 173.2
[M+Na-2H]- 297.22000 177.1
[M]+ 276.24478 174.8
[M]- 276.24588 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe