CID 10080560

2-methyl-[1,2,6]thiadiazinane 1,1-dioxide

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

CN1CCCNS1(=O)=O

InChI

InChI=1S/C4H10N2O2S/c1-6-4-2-3-5-9(6,7)8/h5H,2-4H2,1H3

InChIKey

BXAHKRQLBBUNGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 150.0463 Da
Monoisotopic Mass: -0.6
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]+	151.05358	126.7
[M+Na]+	173.03552	135.1
[M-H]-	149.03902	126.4
[M+NH4]+	168.08012	147.1
[M+K]+	189.00946	133.2
[M+H-H2O]+	133.04356	121.5
[M+HCOO]-	195.04450	140.0
[M+CH3COO]-	209.06015	167.1
[M+Na-2H]-	171.02097	131.3
[M]+	150.04575	124.1
[M]-	150.04685	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe