CID 698365

N-phenylpiperidine-1-carbothioamide

Structural Information

Molecular Formula
C12H16N2S
SMILES
C1CCN(CC1)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C12H16N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,15)
InChIKey
VYTYEDNCIFTZDH-UHFFFAOYSA-N
Compound name
N-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

220.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11070 148.6
[M+Na]+ 243.09264 159.9
[M+NH4]+ 238.13724 158.0
[M+K]+ 259.06658 150.6
[M-H]- 219.09614 153.3
[M+Na-2H]- 241.07809 156.3
[M]+ 220.10287 151.9
[M]- 220.10397 151.9
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