CID 132117456

4-amino-1lambda6,2-thiazinane-1,1,3-trione hydrochloride

Structural Information

Molecular Formula

C₄H₈N₂O₃S

SMILES

C1CS(=O)(=O)NC(=O)C1N

InChI

InChI=1S/C4H8N2O3S/c5-3-1-2-10(8,9)6-4(3)7/h3H,1-2,5H2,(H,6,7)

InChIKey

VZEKVFKATAWPJV-UHFFFAOYSA-N

Compound name

4-amino-1,1-dioxothiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 164.02556 Da
Monoisotopic Mass: -1.6
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]+	165.03284	128.2
[M+Na]+	187.01478	136.5
[M-H]-	163.01828	128.8
[M+NH4]+	182.05938	148.6
[M+K]+	202.98872	133.9
[M+H-H2O]+	147.02282	123.6
[M+HCOO]-	209.02376	143.3
[M+CH3COO]-	223.03941	171.1
[M+Na-2H]-	185.00023	131.8
[M]+	164.02501	124.4
[M]-	164.02611	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe