CID 21718851

1lambda6,2-thiazolidine-1,1,3-trione

Structural Information

Molecular Formula
C3H5NO3S
SMILES
C1CS(=O)(=O)NC1=O
InChI
InChI=1S/C3H5NO3S/c5-3-1-2-8(6,7)4-3/h1-2H2,(H,4,5)
InChIKey
ASJJYLPJOJGZAW-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,2-thiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

633
Patents

134.99901 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.00629 121.0
[M+Na]+ 157.98823 131.1
[M-H]- 133.99173 122.7
[M+NH4]+ 153.03283 145.1
[M+K]+ 173.96217 129.3
[M+H-H2O]+ 117.99627 117.2
[M+HCOO]- 179.99721 138.5
[M+CH3COO]- 194.01286 162.2
[M+Na-2H]- 155.97368 124.9
[M]+ 134.99846 120.5
[M]- 134.99956 120.5
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