CID 19888796

3h-pyrrolo[1,2-c][1,2,3]oxathiazole, tetrahydro-, 1,1-dioxide

Structural Information

Molecular Formula
C5H9NO3S
SMILES
C1CC2COS(=O)(=O)N2C1
InChI
InChI=1S/C5H9NO3S/c7-10(8)6-3-1-2-5(6)4-9-10/h5H,1-4H2
InChIKey
WFFHPXGNIIMFHE-UHFFFAOYSA-N
Compound name
3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

163.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 128.5
[M+Na]+ 186.019538 138.7
[M-H]- 162.023044 132.9
[M+NH4]+ 181.064143 153.9
[M+K]+ 201.993478 139.0
[M+H-H2O]+ 146.027580 125.3
[M+HCOO]- 208.028521 145.4
[M+CH3COO]- 222.044171 170.0
[M+Na-2H]- 184.004986 132.5
[M]+ 163.02977142 130.5
[M]- 163.03086858 130.5
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

patents stripe