CID 130868230

3-aminothietane-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1C(CS1)(C#N)N
InChI
InChI=1S/C4H6N2S/c5-1-4(6)2-7-3-4/h2-3,6H2
InChIKey
IWBJPANJDHVUNW-UHFFFAOYSA-N
Compound name
3-aminothietane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.02517 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.032446 119.1
[M+Na]+ 137.014388 126.7
[M-H]- 113.017894 123.0
[M+NH4]+ 132.058993 135.2
[M+K]+ 152.988328 129.5
[M+H-H2O]+ 97.022430 103.8
[M+HCOO]- 159.023371 133.6
[M+CH3COO]- 173.039021 184.7
[M+Na-2H]- 134.999836 123.9
[M]+ 114.02462142 120.6
[M]- 114.02571858 120.6
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.