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]+ 205.15869 149.3
[M+Na]+ 227.14063 153.1
[M-H]- 203.14413 153.6
[M+NH4]+ 222.18523 169.0
[M+K]+ 243.11457 150.2
[M+H-H2O]+ 187.14867 142.9
[M+HCOO]- 249.14961 167.1
[M+CH3COO]- 263.16526 182.9
[M+Na-2H]- 225.12608 153.6
[M]+ 204.15086 143.3
[M]- 204.15196 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