CID 79658

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

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H30O/c1-8-9-10-13-11-14(17(2,3)4)16(19)15(12-13)18(5,6)7/h11-12,19H,8-10H2,1-7H3
InChIKey
WTWGHNZAQVTLSQ-UHFFFAOYSA-N
Compound name
4-butyl-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13473
Patents

262.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 168.3
[M+Na]+ 285.21890 180.0
[M+NH4]+ 280.26350 175.7
[M+K]+ 301.19284 173.6
[M-H]- 261.22240 169.3
[M+Na-2H]- 283.20435 172.9
[M]+ 262.22913 170.5
[M]- 262.23023 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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