CID 24950190

5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

Structural Information

Molecular Formula
C4H7N3OS
SMILES
C(CN)C1=NNC(=S)O1
InChI
InChI=1S/C4H7N3OS/c5-2-1-3-6-7-4(9)8-3/h1-2,5H2,(H,7,9)
InChIKey
MFIGZWYRYGWDSG-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

145.03099 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 126.0
[M+Na]+ 168.02021 136.0
[M-H]- 144.02371 126.6
[M+NH4]+ 163.06481 144.9
[M+K]+ 183.99415 133.7
[M+H-H2O]+ 128.02825 119.8
[M+HCOO]- 190.02919 143.5
[M+CH3COO]- 204.04484 169.4
[M+Na-2H]- 166.00566 129.6
[M]+ 145.03044 126.0
[M]- 145.03154 126.0
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.