CID 12412512

1,2,6-thiadiazinane 1,1-dioxide

Structural Information

Molecular Formula

C₃H₈N₂O₂S

SMILES

C1CNS(=O)(=O)NC1

InChI

InChI=1S/C3H8N2O2S/c6-8(7)4-2-1-3-5-8/h4-5H,1-3H2

InChIKey

VODZRKXBWJKZLE-UHFFFAOYSA-N

Compound name

1,2,6-thiadiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 136.03065 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.03793	125.4
[M+Na]+	159.01987	134.9
[M+NH4]+	154.06447	134.0
[M+K]+	174.99381	126.9
[M-H]-	135.02337	124.3
[M+Na-2H]-	157.00532	130.3
[M]+	136.03010	126.6
[M]-	136.03120	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe