CID 43827492

1235441-10-7

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
C1CN(CCN1)C2CS(=O)(=O)CC2O
InChI
InChI=1S/C8H16N2O3S/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2
InChIKey
XEBUDYROHUQOQH-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-piperazin-1-ylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08817 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.095446 147.2
[M+Na]+ 243.077388 153.7
[M-H]- 219.080894 148.1
[M+NH4]+ 238.121993 165.6
[M+K]+ 259.051328 150.5
[M+H-H2O]+ 203.085430 141.5
[M+HCOO]- 265.086371 157.5
[M+CH3COO]- 279.102021 176.4
[M+Na-2H]- 241.062836 147.0
[M]+ 220.08762142 141.8
[M]- 220.08871858 141.8
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.