CID 93958187

2377004-37-8

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
C1C[C@@H](NC1)CN2CCCS2(=O)=O
InChI
InChI=1S/C8H16N2O2S/c11-13(12)6-2-5-10(13)7-8-3-1-4-9-8/h8-9H,1-7H2/t8-/m1/s1
InChIKey
DBCBCWLZNXYBAF-MRVPVSSYSA-N
Compound name
2-[[(2R)-pyrrolidin-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09325 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.100526 144.8
[M+Na]+ 227.082468 152.2
[M-H]- 203.085974 147.5
[M+NH4]+ 222.127073 166.4
[M+K]+ 243.056408 149.9
[M+H-H2O]+ 187.090510 139.2
[M+HCOO]- 249.091451 158.8
[M+CH3COO]- 263.107101 175.6
[M+Na-2H]- 225.067916 143.9
[M]+ 204.09270142 141.8
[M]- 204.09379858 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.