CID 62751

Tenocyclidine

Structural Information

Molecular Formula
C15H23NS
SMILES
C1CCC(CC1)(C2=CC=CS2)N3CCCCC3
InChI
InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
InChIKey
JUZZEWSCNBCFRL-UHFFFAOYSA-N
Compound name
1-(1-thiophen-2-ylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

269
References

717
Patents

249.15512 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.162396 159.6
[M+Na]+ 272.144338 162.7
[M-H]- 248.147844 166.2
[M+NH4]+ 267.188943 178.9
[M+K]+ 288.118278 159.1
[M+H-H2O]+ 232.152380 151.7
[M+HCOO]- 294.153321 171.3
[M+CH3COO]- 308.168971 169.6
[M+Na-2H]- 270.129786 158.9
[M]+ 249.15457142 152.1
[M]- 249.15566858 152.1
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