CID 132353823

2138572-96-8

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1CNCC2=C1NS(=O)(=O)N=C2
InChI
InChI=1S/C6H9N3O2S/c10-12(11)8-4-5-3-7-2-1-6(5)9-12/h4,7,9H,1-3H2
InChIKey
KHHCFIHNERULLU-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-pyrido[4,3-c][1,2,6]thiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 135.5
[M+Na]+ 210.030768 144.3
[M-H]- 186.034274 133.0
[M+NH4]+ 205.075373 153.2
[M+K]+ 226.004708 140.0
[M+H-H2O]+ 170.038810 129.3
[M+HCOO]- 232.039751 145.4
[M+CH3COO]- 246.055401 146.5
[M+Na-2H]- 208.016216 142.1
[M]+ 187.04100142 131.4
[M]- 187.04209858 131.4
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.