CID 138005722

2241138-48-5

Structural Information

Molecular Formula
C7H11NO4S
SMILES
C1CC2(CCN(C1)S2(=O)=O)C(=O)O
InChI
InChI=1S/C7H11NO4S/c9-6(10)7-2-1-4-8(5-3-7)13(7,11)12/h1-5H2,(H,9,10)
InChIKey
BBAVFERODPJBFD-UHFFFAOYSA-N
Compound name
8,8-dioxo-8lambda6-thia-1-azabicyclo[3.2.1]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04816 142.8
[M+Na]+ 228.03010 150.1
[M+NH4]+ 223.07470 152.7
[M+K]+ 244.00404 142.8
[M-H]- 204.03360 140.4
[M+Na-2H]- 226.01555 145.7
[M]+ 205.04033 143.5
[M]- 205.04143 143.5
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.