CID 10821804

158089-67-9

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CN=CC=C2
InChI
InChI=1S/C8H10N2O2S/c11-13(12)6-2-5-10(13)8-3-1-4-9-7-8/h1,3-4,7H,2,5-6H2
InChIKey
BTISFQUSQDHPRX-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0463 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 138.3
[M+Na]+ 221.03552 148.3
[M-H]- 197.03902 143.1
[M+NH4]+ 216.08012 159.3
[M+K]+ 237.00946 145.7
[M+H-H2O]+ 181.04356 131.8
[M+HCOO]- 243.04450 156.0
[M+CH3COO]- 257.06015 152.0
[M+Na-2H]- 219.02097 142.2
[M]+ 198.04575 138.9
[M]- 198.04685 138.9
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.