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]+ 143.06375 131.7
[M+Na]+ 165.04569 140.4
[M-H]- 141.04919 135.2
[M+NH4]+ 160.09029 153.0
[M+K]+ 181.01963 137.5
[M+H-H2O]+ 125.05373 121.0
[M+HCOO]- 187.05467 145.1
[M+CH3COO]- 201.07032 185.3
[M+Na-2H]- 163.03114 135.9
[M]+ 142.05592 122.9
[M]- 142.05702 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.