CID 6485

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

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C
InChI
InChI=1S/C15H22O/c1-11-9-12(2)14(16)13(10-11)15(3)7-5-4-6-8-15/h9-10,16H,4-8H2,1-3H3
InChIKey
MXSKJYLPNPYQHH-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-(1-methylcyclohexyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6923
Patents

218.16707 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.1
[M+Na]+ 241.15629 157.6
[M-H]- 217.15979 156.4
[M+NH4]+ 236.20089 171.3
[M+K]+ 257.13023 154.1
[M+H-H2O]+ 201.16433 145.2
[M+HCOO]- 263.16527 169.6
[M+CH3COO]- 277.18092 188.4
[M+Na-2H]- 239.14174 154.2
[M]+ 218.16652 147.3
[M]- 218.16762 147.3
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