CID 82512431

2137629-25-3

Structural Information

Molecular Formula
C7H15N3O2S
SMILES
C1CNCCC1N2CCNS2(=O)=O
InChI
InChI=1S/C7H15N3O2S/c11-13(12)9-5-6-10(13)7-1-3-8-4-2-7/h7-9H,1-6H2
InChIKey
ZCOQZQCLODMUJU-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09578 144.4
[M+Na]+ 228.07772 150.7
[M-H]- 204.08122 143.7
[M+NH4]+ 223.12232 161.8
[M+K]+ 244.05166 147.2
[M+H-H2O]+ 188.08576 137.7
[M+HCOO]- 250.08670 153.5
[M+CH3COO]- 264.10235 154.4
[M+Na-2H]- 226.06317 144.8
[M]+ 205.08795 137.3
[M]- 205.08905 137.3
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.