CID 65173354

1461706-29-5

Structural Information

Molecular Formula
C5H9NO4S
SMILES
C1CS(=O)(=O)CC(N1)C(=O)O
InChI
InChI=1S/C5H9NO4S/c7-5(8)4-3-11(9,10)2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
PPAKHTONXJJHHK-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,4-thiazinane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

179.02522 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 135.2
[M+Na]+ 202.01444 143.5
[M+NH4]+ 197.05904 142.7
[M+K]+ 217.98838 136.9
[M-H]- 178.01794 133.3
[M+Na-2H]- 199.99989 138.6
[M]+ 179.02467 136.0
[M]- 179.02577 136.0
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