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

174
Patents

204.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 148.5
[M+Na]+ 227.14063 151.2
[M-H]- 203.14413 152.4
[M+NH4]+ 222.18523 166.1
[M+K]+ 243.11457 148.1
[M+H-H2O]+ 187.14867 141.5
[M+HCOO]- 249.14961 166.3
[M+CH3COO]- 263.16526 183.4
[M+Na-2H]- 225.12608 151.8
[M]+ 204.15086 142.1
[M]- 204.15196 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