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]+ 204.068886 149.2
[M+Na]+ 226.050828 155.3
[M-H]- 202.054334 150.2
[M+NH4]+ 221.095433 172.4
[M+K]+ 242.024768 156.6
[M+H-H2O]+ 186.058870 143.4
[M+HCOO]- 248.059811 163.0
[M+CH3COO]- 262.075461 187.9
[M+Na-2H]- 224.036276 155.5
[M]+ 203.06106142 165.0
[M]- 203.06215858 165.0
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.