CID 87980

2,4-di-tert-butyl-5-ethylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C16H26O/c1-8-11-9-14(17)13(16(5,6)7)10-12(11)15(2,3)4/h9-10,17H,8H2,1-7H3
InChIKey
OATMJDXPGMCSRS-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-5-ethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

234.19836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 156.7
[M+Na]+ 257.18758 164.6
[M-H]- 233.19108 159.6
[M+NH4]+ 252.23218 175.4
[M+K]+ 273.16152 161.8
[M+H-H2O]+ 217.19562 152.3
[M+HCOO]- 279.19656 174.6
[M+CH3COO]- 293.21221 194.9
[M+Na-2H]- 255.17303 160.4
[M]+ 234.19781 158.9
[M]- 234.19891 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

No literature data available for this compound.

Patent stripe

patents stripe