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

389
Patents

218.16707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 152.1
[M+Na]+ 241.156288 156.7
[M-H]- 217.159794 156.6
[M+NH4]+ 236.200893 169.9
[M+K]+ 257.130228 152.8
[M+H-H2O]+ 201.164330 145.3
[M+HCOO]- 263.165271 170.6
[M+CH3COO]- 277.180921 187.7
[M+Na-2H]- 239.141736 154.8
[M]+ 218.16652142 147.6
[M]- 218.16761858 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