CID 28063559

Piperidine-4-carbothioamide

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

C1CNCCC1C(=S)N

InChI

InChI=1S/C6H12N2S/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

InChIKey

LXOBYAWHAIZPPU-UHFFFAOYSA-N

Compound name

piperidine-4-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 144.07211 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.07939	129.5
[M+Na]+	167.06133	138.0
[M+NH4]+	162.10593	138.1
[M+K]+	183.03527	131.2
[M-H]-	143.06483	130.9
[M+Na-2H]-	165.04678	133.2
[M]+	144.07156	131.2
[M]-	144.07266	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe