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]+ 221.09545 147.2
[M+Na]+ 243.07739 153.7
[M-H]- 219.08089 148.1
[M+NH4]+ 238.12199 165.6
[M+K]+ 259.05133 150.5
[M+H-H2O]+ 203.08543 141.5
[M+HCOO]- 265.08637 157.5
[M+CH3COO]- 279.10202 176.4
[M+Na-2H]- 241.06284 147.0
[M]+ 220.08762 141.8
[M]- 220.08872 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.