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]+ 176.03760 133.3
[M+Na]+ 198.01954 144.0
[M-H]- 174.02304 137.2
[M+NH4]+ 193.06414 159.5
[M+K]+ 213.99348 142.5
[M+H-H2O]+ 158.02758 130.0
[M+HCOO]- 220.02852 150.7
[M+CH3COO]- 234.04417 173.3
[M+Na-2H]- 196.00499 135.4
[M]+ 175.02977 134.8
[M]- 175.03087 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.