CID 3056918

73908-85-7

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
CCC1=NS(=O)(=O)NC(C1)(C)CC
InChI
InChI=1S/C8H16N2O2S/c1-4-7-6-8(3,5-2)10-13(11,12)9-7/h10H,4-6H2,1-3H3
InChIKey
IKPIRGDYYBVACD-UHFFFAOYSA-N
Compound name
3,5-diethyl-3-methyl-2,4-dihydro-1,2,6-thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09325 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.100526 138.8
[M+Na]+ 227.082468 148.2
[M-H]- 203.085974 138.8
[M+NH4]+ 222.127073 159.4
[M+K]+ 243.056408 145.5
[M+H-H2O]+ 187.090510 134.2
[M+HCOO]- 249.091451 152.3
[M+CH3COO]- 263.107101 179.7
[M+Na-2H]- 225.067916 143.5
[M]+ 204.09270142 140.0
[M]- 204.09379858 140.0
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.