CID 16227023

1049765-76-5

Structural Information

Molecular Formula
C9H16N2O3S
SMILES
C1CS(=O)(=O)CC1C(=O)N2CCNCC2
InChI
InChI=1S/C9H16N2O3S/c12-9(11-4-2-10-3-5-11)8-1-6-15(13,14)7-8/h8,10H,1-7H2
InChIKey
ZOIKHJAOHBTYCO-UHFFFAOYSA-N
Compound name
(1,1-dioxothiolan-3-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.08817 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09545 151.1
[M+Na]+ 255.07739 156.7
[M-H]- 231.08089 153.0
[M+NH4]+ 250.12199 169.3
[M+K]+ 271.05133 154.2
[M+H-H2O]+ 215.08543 144.9
[M+HCOO]- 277.08637 161.7
[M+CH3COO]- 291.10202 180.1
[M+Na-2H]- 253.06284 150.4
[M]+ 232.08762 146.0
[M]- 232.08872 146.0
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.