CID 75206

2-methyl-4-tert-octylphenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)O
InChI
InChI=1S/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
InChIKey
DYKCNMUCTREDMF-UHFFFAOYSA-N
Compound name
2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
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 154.9
[M+Na]+ 243.17193 166.9
[M+NH4]+ 238.21653 162.9
[M+K]+ 259.14587 161.1
[M-H]- 219.17543 156.0
[M+Na-2H]- 241.15738 160.6
[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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