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 149.2
[M+Na]+ 226.05083 155.3
[M-H]- 202.05433 150.2
[M+NH4]+ 221.09543 172.4
[M+K]+ 242.02477 156.6
[M+H-H2O]+ 186.05887 143.4
[M+HCOO]- 248.05981 163.0
[M+CH3COO]- 262.07546 187.9
[M+Na-2H]- 224.03628 155.5
[M]+ 203.06106 165.0
[M]- 203.06216 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.