CID 15818740

50289-20-8

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

C1CSCCC1(C#N)N

InChI

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

InChIKey

CYWPCNCIUAEHBD-UHFFFAOYSA-N

Compound name

4-aminothiane-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
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]+	143.063746	131.7
[M+Na]+	165.045688	140.4
[M-H]-	141.049194	135.2
[M+NH4]+	160.090293	153.0
[M+K]+	181.019628	137.5
[M+H-H2O]+	125.053730	121.0
[M+HCOO]-	187.054671	145.1
[M+CH3COO]-	201.070321	185.3
[M+Na-2H]-	163.031136	135.9
[M]+	142.05592142	122.9
[M]-	142.05701858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe