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]+ 177.06923 134.5
[M+Na]+ 199.05117 142.8
[M-H]- 175.05467 134.7
[M+NH4]+ 194.09577 156.7
[M+K]+ 215.02511 140.3
[M+H-H2O]+ 159.05921 129.4
[M+HCOO]- 221.06015 146.6
[M+CH3COO]- 235.07580 146.7
[M+Na-2H]- 197.03662 137.9
[M]+ 176.06140 131.2
[M]- 176.06250 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.