CID 593776

20109-09-5

Structural Information

Molecular Formula
C14H16O
SMILES
C1CCC(CC1)(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2
InChIKey
LBEMYSKBSYEVAG-UHFFFAOYSA-N
Compound name
1-(2-phenylethynyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

200.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 150.7
[M+Na]+ 223.10934 159.0
[M-H]- 199.11284 153.6
[M+NH4]+ 218.15394 168.6
[M+K]+ 239.08328 151.6
[M+H-H2O]+ 183.11738 138.8
[M+HCOO]- 245.11832 164.4
[M+CH3COO]- 259.13397 160.6
[M+Na-2H]- 221.09479 155.1
[M]+ 200.11957 139.9
[M]- 200.12067 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe