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 139.3
[M+Na]+ 228.03010 147.8
[M-H]- 204.03360 139.5
[M+NH4]+ 223.07470 163.9
[M+K]+ 244.00404 146.1
[M+H-H2O]+ 188.03814 136.3
[M+HCOO]- 250.03908 151.4
[M+CH3COO]- 264.05473 176.5
[M+Na-2H]- 226.01555 144.6
[M]+ 205.04033 140.0
[M]- 205.04143 140.0
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

No patent data available for this compound.