CID 3348569

2,6-dimethyl-4-(1,1-dimethylpropyl)phenol

Structural Information

Molecular Formula
C13H20O
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)C)O)C
InChI
InChI=1S/C13H20O/c1-6-13(4,5)11-7-9(2)12(14)10(3)8-11/h7-8,14H,6H2,1-5H3
InChIKey
AKIHZTRJDCMLGB-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

192.15141 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 143.6
[M+Na]+ 215.14063 152.3
[M-H]- 191.14413 146.7
[M+NH4]+ 210.18523 163.7
[M+K]+ 231.11457 149.6
[M+H-H2O]+ 175.14867 139.1
[M+HCOO]- 237.14961 164.1
[M+CH3COO]- 251.16526 186.7
[M+Na-2H]- 213.12608 148.1
[M]+ 192.15086 145.4
[M]- 192.15196 145.4
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