CID 25307124

1lambda6,2-thiazinane-1,1,3-trione

Structural Information

Molecular Formula
C4H7NO3S
SMILES
C1CC(=O)NS(=O)(=O)C1
InChI
InChI=1S/C4H7NO3S/c6-4-2-1-3-9(7,8)5-4/h1-3H2,(H,5,6)
InChIKey
PBILQPVGEGXWKT-UHFFFAOYSA-N
Compound name
1,1-dioxothiazinan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

149.01466 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 124.6
[M+Na]+ 172.00388 133.1
[M-H]- 148.00738 125.7
[M+NH4]+ 167.04848 146.1
[M+K]+ 187.97782 131.1
[M+H-H2O]+ 132.01192 120.2
[M+HCOO]- 194.01286 139.5
[M+CH3COO]- 208.02851 165.5
[M+Na-2H]- 169.98933 129.4
[M]+ 149.01411 122.3
[M]- 149.01521 122.3
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

patents stripe