CID 136575651

2193058-67-0

Structural Information

Molecular Formula
C6H12N2O2S
SMILES
C1CC2NCCS(=O)(=O)N2C1
InChI
InChI=1S/C6H12N2O2S/c9-11(10)5-3-7-6-2-1-4-8(6)11/h6-7H,1-5H2
InChIKey
VNNMLQZYEMOKNX-UHFFFAOYSA-N
Compound name
2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-b][1,2,4]thiadiazine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06195 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.069226 134.5
[M+Na]+ 199.051168 142.8
[M-H]- 175.054674 134.7
[M+NH4]+ 194.095773 156.7
[M+K]+ 215.025108 140.3
[M+H-H2O]+ 159.059210 129.4
[M+HCOO]- 221.060151 146.6
[M+CH3COO]- 235.075801 146.7
[M+Na-2H]- 197.036616 137.9
[M]+ 176.06140142 131.2
[M]- 176.06249858 131.2
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.