CID 62872576

3-aminothiane-3-carbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

C1CC(CSC1)(C#N)N

InChI

InChI=1S/C6H10N2S/c7-4-6(8)2-1-3-9-5-6/h1-3,5,8H2

InChIKey

AFZYFRRLSPRLHU-UHFFFAOYSA-N

Compound name

3-aminothiane-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.05647 Da
Monoisotopic Mass: 0.1
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]+	143.06375	126.1
[M+Na]+	165.04569	135.2
[M+NH4]+	160.09029	133.4
[M+K]+	181.01963	123.6
[M-H]-	141.04919	121.6
[M+Na-2H]-	163.03114	130.5
[M]+	142.05592	125.7
[M]-	142.05702	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.