CID 80497

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
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

literature stripe

Patent stripe

patents stripe