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]+ 188.04883 135.5
[M+Na]+ 210.03077 144.3
[M-H]- 186.03427 133.0
[M+NH4]+ 205.07537 153.2
[M+K]+ 226.00471 140.0
[M+H-H2O]+ 170.03881 129.3
[M+HCOO]- 232.03975 145.4
[M+CH3COO]- 246.05540 146.5
[M+Na-2H]- 208.01622 142.1
[M]+ 187.04100 131.4
[M]- 187.04210 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.