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]+ 206.048156 139.3
[M+Na]+ 228.030098 147.8
[M-H]- 204.033604 139.5
[M+NH4]+ 223.074703 163.9
[M+K]+ 244.004038 146.1
[M+H-H2O]+ 188.038140 136.3
[M+HCOO]- 250.039081 151.4
[M+CH3COO]- 264.054731 176.5
[M+Na-2H]- 226.015546 144.6
[M]+ 205.04033142 140.0
[M]- 205.04142858 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.