CID 243241

2,6-di-tert-butyl-3-methylphenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C(C(=C(C=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-9-11(14(2,3)4)13(16)12(10)15(5,6)7/h8-9,16H,1-7H3
InChIKey
UHZLTTPUIQXNPO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1880
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.8
[M+Na]+ 243.17193 167.2
[M+NH4]+ 238.21653 162.8
[M+K]+ 259.14587 161.5
[M-H]- 219.17543 156.0
[M+Na-2H]- 241.15738 160.2
[M]+ 220.18216 157.2
[M]- 220.18326 157.2
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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