CID 12412512

1lambda6,2,6-thiadiazinane-1,1-dione

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: 497
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	124.0
[M+Na]+	159.01987	131.4
[M-H]-	135.02337	121.9
[M+NH4]+	154.06447	143.8
[M+K]+	174.99381	128.8
[M+H-H2O]+	119.02791	118.9
[M+HCOO]-	181.02885	136.0
[M+CH3COO]-	195.04450	160.4
[M+Na-2H]-	157.00532	129.1
[M]+	136.03010	118.7
[M]-	136.03120	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe