CID 521263

4-methyl-2-t-octylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.0
[M+Na]+ 243.171928 160.4
[M-H]- 219.175434 155.6
[M+NH4]+ 238.216533 171.8
[M+K]+ 259.145868 157.7
[M+H-H2O]+ 203.179970 148.5
[M+HCOO]- 265.180911 171.2
[M+CH3COO]- 279.196561 191.4
[M+Na-2H]- 241.157376 157.9
[M]+ 220.18216142 154.5
[M]- 220.18325858 154.5
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