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]+ 205.10053 138.8
[M+Na]+ 227.08247 148.2
[M-H]- 203.08597 138.8
[M+NH4]+ 222.12707 159.4
[M+K]+ 243.05641 145.5
[M+H-H2O]+ 187.09051 134.2
[M+HCOO]- 249.09145 152.3
[M+CH3COO]- 263.10710 179.7
[M+Na-2H]- 225.06792 143.5
[M]+ 204.09270 140.0
[M]- 204.09380 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.