CID 62542725

1-(4-ethylphenyl)-3-methylcyclohexan-1-ol

Structural Information

Molecular Formula
C15H22O
SMILES
CCC1=CC=C(C=C1)C2(CCCC(C2)C)O
InChI
InChI=1S/C15H22O/c1-3-13-6-8-14(9-7-13)15(16)10-4-5-12(2)11-15/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKey
KALXMZPVEKGSMT-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-3-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.0
[M+Na]+ 241.15629 157.6
[M-H]- 217.15979 156.9
[M+NH4]+ 236.20089 171.9
[M+K]+ 257.13023 154.1
[M+H-H2O]+ 201.16433 145.9
[M+HCOO]- 263.16527 170.6
[M+CH3COO]- 277.18092 187.3
[M+Na-2H]- 239.14174 155.8
[M]+ 218.16652 147.8
[M]- 218.16762 147.8
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

No patent data available for this compound.