CID 10464345

1lambda6,2,5-thiadiazolidine-1,1-dione

Structural Information

Molecular Formula
C2H6N2O2S
SMILES
C1CNS(=O)(=O)N1
InChI
InChI=1S/C2H6N2O2S/c5-7(6)3-1-2-4-7/h3-4H,1-2H2
InChIKey
ADBZIZGMAVRJPN-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

661
Patents

122.015 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02228 119.9
[M+Na]+ 145.00422 129.0
[M-H]- 121.00772 118.5
[M+NH4]+ 140.04882 142.3
[M+K]+ 160.97816 126.8
[M+H-H2O]+ 105.01226 115.3
[M+HCOO]- 167.01320 134.6
[M+CH3COO]- 181.02885 157.1
[M+Na-2H]- 142.98967 124.0
[M]+ 122.01445 116.6
[M]- 122.01555 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe