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]+ 115.03245 119.1
[M+Na]+ 137.01439 126.7
[M-H]- 113.01789 123.0
[M+NH4]+ 132.05899 135.2
[M+K]+ 152.98833 129.5
[M+H-H2O]+ 97.022430 103.8
[M+HCOO]- 159.02337 133.6
[M+CH3COO]- 173.03902 184.7
[M+Na-2H]- 134.99984 123.9
[M]+ 114.02462 120.6
[M]- 114.02572 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.