CID 3032286

3-(2-aminoethyl)-2-thiohydantoin

Structural Information

Molecular Formula
C5H9N3OS
SMILES
C1C(=O)N(C(=S)N1)CCN
InChI
InChI=1S/C5H9N3OS/c6-1-2-8-4(9)3-7-5(8)10/h1-3,6H2,(H,7,10)
InChIKey
JMURGYQYYMJASX-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

159.04663 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 132.6
[M+Na]+ 182.03585 141.1
[M-H]- 158.03935 132.0
[M+NH4]+ 177.08045 152.2
[M+K]+ 198.00979 137.7
[M+H-H2O]+ 142.04389 126.6
[M+HCOO]- 204.04483 147.9
[M+CH3COO]- 218.06048 173.4
[M+Na-2H]- 180.02130 132.5
[M]+ 159.04608 129.4
[M]- 159.04718 129.4
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

patents stripe