CID 171582

4-tert-butyl-2,6-diisopropylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-10(2)13-8-12(16(5,6)7)9-14(11(3)4)15(13)17/h8-11,17H,1-7H3
InChIKey
JERVKJDPAKUDRH-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

195
Patents

234.19836 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 156.4
[M+Na]+ 257.187578 163.3
[M-H]- 233.191084 159.1
[M+NH4]+ 252.232183 174.7
[M+K]+ 273.161518 161.0
[M+H-H2O]+ 217.195620 151.6
[M+HCOO]- 279.196561 173.9
[M+CH3COO]- 293.212211 196.8
[M+Na-2H]- 255.173026 156.9
[M]+ 234.19781142 157.9
[M]- 234.19890858 157.9
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