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]+ 178.01686 138.8
[M+Na]+ 199.99880 146.5
[M-H]- 176.00230 137.8
[M+NH4]+ 195.04340 161.4
[M+K]+ 215.97274 148.4
[M+H-H2O]+ 160.00684 133.5
[M+HCOO]- 222.00778 150.5
[M+CH3COO]- 236.02343 177.5
[M+Na-2H]- 197.98425 145.8
[M]+ 177.00903 154.8
[M]- 177.01013 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.