CID 123692

112726-66-6

Structural Information

Molecular Formula
C19H25NS
SMILES
C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4
InChI
InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
InChIKey
RGSVXQJPSWZXOP-UHFFFAOYSA-N
Compound name
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

67
References

536
Patents

299.17078 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17806 169.8
[M+Na]+ 322.16000 182.9
[M+NH4]+ 317.20460 182.5
[M+K]+ 338.13394 171.2
[M-H]- 298.16350 177.2
[M+Na-2H]- 320.14545 179.7
[M]+ 299.17023 174.6
[M]- 299.17133 174.6
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