CID 12412519

67104-99-8

Structural Information

Molecular Formula
C3H8N2O4S2
SMILES
CS(=O)(=O)N1CCNS1(=O)=O
InChI
InChI=1S/C3H8N2O4S2/c1-10(6,7)5-3-2-4-11(5,8)9/h4H,2-3H2,1H3
InChIKey
YCDNCHCPYAPGAP-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-1,2,5-thiadiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99255 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99983 137.3
[M+Na]+ 222.98177 147.4
[M-H]- 198.98527 137.2
[M+NH4]+ 218.02637 157.3
[M+K]+ 238.95571 144.5
[M+H-H2O]+ 182.98981 133.6
[M+HCOO]- 244.99075 146.7
[M+CH3COO]- 259.00640 171.8
[M+Na-2H]- 220.96722 140.1
[M]+ 199.99200 138.4
[M]- 199.99310 138.4
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.