CID 47003157

1181267-49-1

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
C1CCN(C1)C2CS(=O)(=O)CC2N
InChI
InChI=1S/C8H16N2O2S/c9-7-5-13(11,12)6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2
InChIKey
JZIIGUJWJPRRRU-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09325 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10053 143.4
[M+Na]+ 227.08247 151.1
[M-H]- 203.08597 148.5
[M+NH4]+ 222.12707 166.6
[M+K]+ 243.05641 148.9
[M+H-H2O]+ 187.09051 138.3
[M+HCOO]- 249.09145 160.3
[M+CH3COO]- 263.10710 180.7
[M+Na-2H]- 225.06792 142.4
[M]+ 204.09270 140.3
[M]- 204.09380 140.3
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.