CID 3038234

19553-02-7

Structural Information

Molecular Formula
C8H15N3O2S
SMILES
CCOC(=O)N1CCN(CC1)C(=S)N
InChI
InChI=1S/C8H15N3O2S/c1-2-13-8(12)11-5-3-10(4-6-11)7(9)14/h2-6H2,1H3,(H2,9,14)
InChIKey
SSNMQYMVJCCSHM-UHFFFAOYSA-N
Compound name
ethyl 4-carbamothioylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.0885 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09578 148.5
[M+Na]+ 240.07772 156.1
[M+NH4]+ 235.12232 154.7
[M+K]+ 256.05166 150.6
[M-H]- 216.08122 148.0
[M+Na-2H]- 238.06317 150.2
[M]+ 217.08795 149.4
[M]- 217.08905 149.4
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

No patent data available for this compound.