CID 139595571

Ns00040957

Structural Information

Molecular Formula
C4H5NO4S
SMILES
C=C1COS(=O)(=O)NC1=O
InChI
InChI=1S/C4H5NO4S/c1-3-2-9-10(7,8)5-4(3)6/h1-2H2,(H,5,6)
InChIKey
JIELCBZFZNANHI-UHFFFAOYSA-N
Compound name
5-methylidene-2,2-dioxooxathiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.99393 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.001206 124.8
[M+Na]+ 185.983148 134.4
[M-H]- 161.986654 127.0
[M+NH4]+ 181.027753 144.7
[M+K]+ 201.957088 133.2
[M+H-H2O]+ 145.991190 120.6
[M+HCOO]- 207.992131 139.4
[M+CH3COO]- 222.007781 168.1
[M+Na-2H]- 183.968596 130.2
[M]+ 162.99338142 124.2
[M]- 162.99447858 124.2
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.