CID 15418402

2,3-dihydro-1lambda6,2-thiazole-1,1-dione

Structural Information

Molecular Formula
C3H5NO2S
SMILES
C1C=CS(=O)(=O)N1
InChI
InChI=1S/C3H5NO2S/c5-7(6)3-1-2-4-7/h1,3-4H,2H2
InChIKey
OGOVCJUTZGZKOH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,2-thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

155
Patents

119.0041 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.01138 117.8
[M+Na]+ 141.99332 127.9
[M-H]- 117.99682 119.5
[M+NH4]+ 137.03792 142.5
[M+K]+ 157.96726 126.2
[M+H-H2O]+ 102.00136 113.7
[M+HCOO]- 164.00230 136.4
[M+CH3COO]- 178.01795 159.5
[M+Na-2H]- 139.97877 123.0
[M]+ 119.00355 117.6
[M]- 119.00465 117.6
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