CID 1551232

Piperidine-1-carbothioamide

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

C1CCN(CC1)C(=S)N

InChI

InChI=1S/C6H12N2S/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)

InChIKey

UERQMZVFUXRQOD-UHFFFAOYSA-N

Compound name

piperidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 408
Patents: 144.07211 Da
Monoisotopic Mass: 0.7
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]+	145.079386	129.9
[M+Na]+	167.061328	135.0
[M-H]-	143.064834	131.0
[M+NH4]+	162.105933	149.7
[M+K]+	183.035268	132.9
[M+H-H2O]+	127.069370	123.7
[M+HCOO]-	189.070311	144.0
[M+CH3COO]-	203.085961	173.2
[M+Na-2H]-	165.046776	131.5
[M]+	144.07156142	124.0
[M]-	144.07265858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe