CID 15711730

2-cyclohexyl-1-phenylethanol

Structural Information

Molecular Formula
C14H20O
SMILES
C1CCC(CC1)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H20O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2
InChIKey
MGABQOVTAPAHJQ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

204.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 148.5
[M+Na]+ 227.140628 151.2
[M-H]- 203.144134 152.4
[M+NH4]+ 222.185233 166.1
[M+K]+ 243.114568 148.1
[M+H-H2O]+ 187.148670 141.5
[M+HCOO]- 249.149611 166.3
[M+CH3COO]- 263.165261 183.4
[M+Na-2H]- 225.126076 151.8
[M]+ 204.15086142 142.1
[M]- 204.15195858 142.1
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