CID 3126231

Phenol, 4-(trans-4-propylcyclohexyl)-

Structural Information

Molecular Formula
C15H22O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3
InChIKey
AHAZEMSUUYFDMM-UHFFFAOYSA-N
Compound name
4-(4-propylcyclohexyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

396
Patents

218.16707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.1
[M+Na]+ 241.15629 156.7
[M-H]- 217.15979 156.6
[M+NH4]+ 236.20089 169.9
[M+K]+ 257.13023 152.8
[M+H-H2O]+ 201.16433 145.3
[M+HCOO]- 263.16527 170.6
[M+CH3COO]- 277.18092 187.7
[M+Na-2H]- 239.14174 154.8
[M]+ 218.16652 147.6
[M]- 218.16762 147.6
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