CID 57301582

1-(1-phenylcyclohexyl)ethan-1-ol

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C1(CCCCC1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H20O/c1-12(15)14(10-6-3-7-11-14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKey
QZZWLLJAUUMFDV-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 149.3
[M+Na]+ 227.140628 153.1
[M-H]- 203.144134 153.6
[M+NH4]+ 222.185233 169.0
[M+K]+ 243.114568 150.2
[M+H-H2O]+ 187.148670 142.9
[M+HCOO]- 249.149611 167.1
[M+CH3COO]- 263.165261 182.9
[M+Na-2H]- 225.126076 153.6
[M]+ 204.15086142 143.3
[M]- 204.15195858 143.3
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