CID 121552474

1909325-24-1

Structural Information

Molecular Formula
C7H11NO4S
SMILES
C1CN2CCC1C(S2(=O)=O)C(=O)O
InChI
InChI=1S/C7H11NO4S/c9-7(10)6-5-1-3-8(4-2-5)13(6,11)12/h5-6H,1-4H2,(H,9,10)
InChIKey
BYDYRYRMUJAMLN-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thia-1-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.048156 138.2
[M+Na]+ 228.030098 144.4
[M-H]- 204.033604 132.3
[M+NH4]+ 223.074703 161.9
[M+K]+ 244.004038 143.1
[M+H-H2O]+ 188.038140 135.1
[M+HCOO]- 250.039081 143.2
[M+CH3COO]- 264.054731 148.6
[M+Na-2H]- 226.015546 148.6
[M]+ 205.04033142 142.4
[M]- 205.04142858 142.4
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.