CID 132372787

2167084-66-2

Structural Information

Molecular Formula
C5H9NO4S
SMILES
C1CC(S(=O)(=O)NC1)C(=O)O
InChI
InChI=1S/C5H9NO4S/c7-5(8)4-2-1-3-6-11(4,9)10/h4,6H,1-3H2,(H,7,8)
InChIKey
FUDBYCNICNCULO-UHFFFAOYSA-N
Compound name
1,1-dioxothiazinane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 132.7
[M+Na]+ 202.01444 139.8
[M-H]- 178.01794 132.1
[M+NH4]+ 197.05904 152.1
[M+K]+ 217.98838 137.6
[M+H-H2O]+ 162.02248 128.3
[M+HCOO]- 224.02342 144.9
[M+CH3COO]- 238.03907 169.1
[M+Na-2H]- 199.99989 135.7
[M]+ 179.02467 129.8
[M]- 179.02577 129.8
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.