CID 116868

2,5-dimethyl-4,6-di-tert-butylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CC(=C(C(=C1O)C(C)(C)C)C)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-10-9-12(15(3,4)5)11(2)13(14(10)17)16(6,7)8/h9,17H,1-8H3
InChIKey
OMJSSPXSNTYUNK-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-3,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

234.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 155.3
[M+Na]+ 257.18758 164.2
[M-H]- 233.19108 158.6
[M+NH4]+ 252.23218 174.3
[M+K]+ 273.16152 161.5
[M+H-H2O]+ 217.19562 151.2
[M+HCOO]- 279.19656 173.2
[M+CH3COO]- 293.21221 196.2
[M+Na-2H]- 255.17303 158.5
[M]+ 234.19781 157.9
[M]- 234.19891 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

No literature data available for this compound.

Patent stripe

patents stripe