CID 210772

1-(phenyltetrahydro-4-thiopyranyl)piperidine, hydrochloride

Structural Information

Molecular Formula
C16H23NS
SMILES
C1CCN(CC1)C2(CCSCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H23NS/c1-3-7-15(8-4-1)16(9-13-18-14-10-16)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-14H2
InChIKey
RIIRMUBUGPAIQD-UHFFFAOYSA-N
Compound name
1-(4-phenylthian-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15512 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16240 161.3
[M+Na]+ 284.14434 173.8
[M+NH4]+ 279.18894 173.5
[M+K]+ 300.11828 161.0
[M-H]- 260.14784 168.4
[M+Na-2H]- 282.12979 171.9
[M]+ 261.15457 165.9
[M]- 261.15567 165.9
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

No patent data available for this compound.