CID 3052603

2,6-diethyl-3,5-dimethylphenol

Structural Information

Molecular Formula
C12H18O
SMILES
CCC1=C(C(=C(C=C1C)C)CC)O
InChI
InChI=1S/C12H18O/c1-5-10-8(3)7-9(4)11(6-2)12(10)13/h7,13H,5-6H2,1-4H3
InChIKey
FKHCUBYZJXPEPX-UHFFFAOYSA-N
Compound name
2,6-diethyl-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

178.13577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 139.8
[M+Na]+ 201.12499 153.8
[M+NH4]+ 196.16959 148.8
[M+K]+ 217.09893 146.6
[M-H]- 177.12849 142.5
[M+Na-2H]- 199.11044 146.1
[M]+ 178.13522 142.7
[M]- 178.13632 142.7
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