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

12
Patents

220.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.110696 148.4
[M+Na]+ 243.092638 152.6
[M-H]- 219.096144 152.7
[M+NH4]+ 238.137243 165.2
[M+K]+ 259.066578 148.5
[M+H-H2O]+ 203.100680 140.6
[M+HCOO]- 265.101621 163.0
[M+CH3COO]- 279.117271 159.1
[M+Na-2H]- 241.078086 151.0
[M]+ 220.10287142 143.2
[M]- 220.10396858 143.2
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