CID 3003260

Schembl15999312

Structural Information

Molecular Formula

C₇H₁₂N₂S₂

SMILES

C1CCN(CC1)C(=S)C(=S)N

InChI

InChI=1S/C7H12N2S2/c8-6(10)7(11)9-4-2-1-3-5-9/h1-5H2,(H2,8,10)

InChIKey

VMRLZEQBHKNKPV-UHFFFAOYSA-N

Compound name

2-piperidin-1-yl-2-sulfanylideneethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 188.04419 Da
Monoisotopic Mass: 1.1
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]+	189.05147	138.3
[M+Na]+	211.03341	143.0
[M-H]-	187.03691	138.8
[M+NH4]+	206.07801	156.3
[M+K]+	227.00735	138.9
[M+H-H2O]+	171.04145	132.1
[M+HCOO]-	233.04239	145.3
[M+CH3COO]-	247.05804	180.5
[M+Na-2H]-	209.01886	136.4
[M]+	188.04364	132.3
[M]-	188.04474	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe