CID 20087

2,6-di-tert-butyl-4-ethylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
InChIKey
BVUXDWXKPROUDO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-ethylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

31334
Patents

234.19836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 156.7
[M+Na]+ 257.187578 164.6
[M-H]- 233.191084 159.6
[M+NH4]+ 252.232183 175.4
[M+K]+ 273.161518 161.8
[M+H-H2O]+ 217.195620 152.3
[M+HCOO]- 279.196561 174.6
[M+CH3COO]- 293.212211 194.9
[M+Na-2H]- 255.173026 160.4
[M]+ 234.19781142 158.9
[M]- 234.19890858 158.9
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