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]+ 206.04816 138.2
[M+Na]+ 228.03010 144.4
[M-H]- 204.03360 132.3
[M+NH4]+ 223.07470 161.9
[M+K]+ 244.00404 143.1
[M+H-H2O]+ 188.03814 135.1
[M+HCOO]- 250.03908 143.2
[M+CH3COO]- 264.05473 148.6
[M+Na-2H]- 226.01555 148.6
[M]+ 205.04033 142.4
[M]- 205.04143 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.