CID 155034412

4-amino-1lambda6,2-thiazinane-1,1-dione hydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

C1CS(=O)(=O)NCC1N

InChI

InChI=1S/C4H10N2O2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3,5H2

InChIKey

METLZVQSPMRPDH-UHFFFAOYSA-N

Compound name

1,1-dioxothiazinan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 150.0463 Da
Monoisotopic Mass: -1.4
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]+	151.053576	126.6
[M+Na]+	173.035518	134.0
[M-H]-	149.039024	126.9
[M+NH4]+	168.080123	147.5
[M+K]+	189.009458	131.5
[M+H-H2O]+	133.043560	121.8
[M+HCOO]-	195.044501	141.3
[M+CH3COO]-	209.060151	168.6
[M+Na-2H]-	171.020966	130.7
[M]+	150.04575142	121.7
[M]-	150.04684858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe