CID 86583

4-sec-butyl-2,6-di-tert-butylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
InChIKey
BFZOTKYPSZSDEV-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1309
Patents

262.22968 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 164.8
[M+Na]+ 285.21890 171.6
[M-H]- 261.22240 167.4
[M+NH4]+ 280.26350 182.3
[M+K]+ 301.19284 168.9
[M+H-H2O]+ 245.22694 160.2
[M+HCOO]- 307.22788 181.1
[M+CH3COO]- 321.24353 201.8
[M+Na-2H]- 283.20435 166.4
[M]+ 262.22913 167.1
[M]- 262.23023 167.1
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

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