CID 71945

Taurultam

Structural Information

Molecular Formula

C₃H₈N₂O₂S

SMILES

C1CS(=O)(=O)NCN1

InChI

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

InChIKey

RJGYJMFQWGPBGM-UHFFFAOYSA-N

Compound name

1,2,4-thiadiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 1210
Patents: 136.03065 Da
Monoisotopic Mass: -1.2
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]+	137.037926	124.0
[M+Na]+	159.019868	131.4
[M-H]-	135.023374	121.9
[M+NH4]+	154.064473	143.8
[M+K]+	174.993808	128.8
[M+H-H2O]+	119.027910	118.9
[M+HCOO]-	181.028851	136.0
[M+CH3COO]-	195.044501	160.4
[M+Na-2H]-	157.005316	129.1
[M]+	136.03010142	118.7
[M]-	136.03119858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe