CID 145874309

2375269-52-4

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CCOC(=O)C12CC(C1)S(=N)(=O)C2
InChI
InChI=1S/C8H13NO3S/c1-2-12-7(10)8-3-6(4-8)13(9,11)5-8/h6,9H,2-5H2,1H3
InChIKey
HCUXTQONPASQRB-UHFFFAOYSA-N
Compound name
ethyl 2-imino-2-oxo-2lambda6-thiabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06889 140.3
[M+Na]+ 226.05083 141.4
[M+NH4]+ 221.09543 147.5
[M+K]+ 242.02477 137.5
[M-H]- 202.05433 134.4
[M+Na-2H]- 224.03628 138.0
[M]+ 203.06106 137.9
[M]- 203.06216 137.9
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.