CID 137943452

2287250-05-7

Structural Information

Molecular Formula
C6H9NO3S
SMILES
C1C[C@@H]2C(=O)CS(=O)(=O)N2C1
InChI
InChI=1S/C6H9NO3S/c8-6-4-11(9,10)7-3-1-2-5(6)7/h5H,1-4H2/t5-/m1/s1
InChIKey
JOMVGZHTGUYPSB-RXMQYKEDSA-N
Compound name
(3aR)-1,1-dioxo-3a,4,5,6-tetrahydropyrrolo[1,2-b][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03032 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 133.3
[M+Na]+ 198.019538 144.0
[M-H]- 174.023044 137.2
[M+NH4]+ 193.064143 159.5
[M+K]+ 213.993478 142.5
[M+H-H2O]+ 158.027580 130.0
[M+HCOO]- 220.028521 150.7
[M+CH3COO]- 234.044171 173.3
[M+Na-2H]- 196.004986 135.4
[M]+ 175.02977142 134.8
[M]- 175.03086858 134.8
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.