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

24
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 153.0
[M+Na]+ 243.17193 160.4
[M-H]- 219.17543 155.6
[M+NH4]+ 238.21653 171.8
[M+K]+ 259.14587 157.7
[M+H-H2O]+ 203.17997 148.5
[M+HCOO]- 265.18091 171.2
[M+CH3COO]- 279.19656 191.4
[M+Na-2H]- 241.15738 157.9
[M]+ 220.18216 154.5
[M]- 220.18326 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