CID 3019433

2,4,5-tri-tert-butylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CC(C)(C)C1=CC(=C(C=C1C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H30O/c1-16(2,3)12-10-14(18(7,8)9)15(19)11-13(12)17(4,5)6/h10-11,19H,1-9H3
InChIKey
XRXSBCHCLGSTHW-UHFFFAOYSA-N
Compound name
2,4,5-tritert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 163.8
[M+Na]+ 285.21890 171.3
[M-H]- 261.22240 166.7
[M+NH4]+ 280.26350 181.5
[M+K]+ 301.19284 168.7
[M+H-H2O]+ 245.22694 159.7
[M+HCOO]- 307.22788 179.5
[M+CH3COO]- 321.24353 200.9
[M+Na-2H]- 283.20435 167.7
[M]+ 262.22913 166.1
[M]- 262.23023 166.1
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

patents stripe