CID 199548

2h-1,3-thiazine-2,4(3h)-dione, dihydro-5,5-diethyl-

Structural Information

Molecular Formula
C8H13NO2S
SMILES
CCC1(CSC(=O)NC1=O)CC
InChI
InChI=1S/C8H13NO2S/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)
InChIKey
JYXRFKWGAVUCGC-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07398 137.9
[M+Na]+ 210.05592 145.3
[M-H]- 186.05942 138.6
[M+NH4]+ 205.10052 158.3
[M+K]+ 226.02986 142.6
[M+H-H2O]+ 170.06396 133.1
[M+HCOO]- 232.06490 151.1
[M+CH3COO]- 246.08055 177.4
[M+Na-2H]- 208.04137 140.1
[M]+ 187.06615 136.6
[M]- 187.06725 136.6
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.