CID 2760618

89937-52-0

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

C1CS(=O)(=O)CCN1CCN

InChI

InChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2

InChIKey

NICIHZYGEQHDPN-UHFFFAOYSA-N

Compound name

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 491
Patents: 178.0776 Da
Monoisotopic Mass: -1.5
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]+	179.08488	136.3
[M+Na]+	201.06682	145.2
[M+NH4]+	196.11142	145.3
[M+K]+	217.04076	136.7
[M-H]-	177.07032	137.0
[M+Na-2H]-	199.05227	141.3
[M]+	178.07705	138.0
[M]-	178.07815	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe