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

2
Patents

163.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 128.5
[M+Na]+ 186.01954 138.7
[M-H]- 162.02304 132.9
[M+NH4]+ 181.06414 153.9
[M+K]+ 201.99348 139.0
[M+H-H2O]+ 146.02758 125.3
[M+HCOO]- 208.02852 145.4
[M+CH3COO]- 222.04417 170.0
[M+Na-2H]- 184.00499 132.5
[M]+ 163.02977 130.5
[M]- 163.03087 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