CID 76782

6-(1,1,3,3-tetramethylbutyl)-3-cresol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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

No literature data available for this compound.

Patent stripe

patents stripe