CID 139022646

2344679-85-0

Structural Information

Molecular Formula
C5H7NO4S
SMILES
C1C2(CN1S(=O)(=O)C2)C(=O)O
InChI
InChI=1S/C5H7NO4S/c7-4(8)5-1-6(2-5)11(9,10)3-5/h1-3H2,(H,7,8)
InChIKey
PNHCFFSDMZHISY-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thia-1-azabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.00958 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.016856 138.8
[M+Na]+ 199.998798 146.5
[M-H]- 176.002304 137.8
[M+NH4]+ 195.043403 161.4
[M+K]+ 215.972738 148.4
[M+H-H2O]+ 160.006840 133.5
[M+HCOO]- 222.007781 150.5
[M+CH3COO]- 236.023431 177.5
[M+Na-2H]- 197.984246 145.8
[M]+ 177.00903142 154.8
[M]- 177.01012858 154.8
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.