CID 70114

1-piperidinecarbodithioic acid

Structural Information

Molecular Formula

C₆H₁₁NS₂

SMILES

C1CCN(CC1)C(=S)S

InChI

InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)

InChIKey

FAIPQCJQEAURIB-UHFFFAOYSA-N

Compound name

piperidine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 1698
Patents: 161.0333 Da
Monoisotopic Mass: 1.9
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]+	162.04058	130.1
[M+Na]+	184.02252	136.2
[M-H]-	160.02602	131.6
[M+NH4]+	179.06712	150.1
[M+K]+	199.99646	133.3
[M+H-H2O]+	144.03056	124.4
[M+HCOO]-	206.03150	138.2
[M+CH3COO]-	220.04715	174.3
[M+Na-2H]-	182.00797	130.0
[M]+	161.03275	126.9
[M]-	161.03385	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe