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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.