CID 24728621

1354951-49-7

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

C1CS(=O)CCN1CCN

InChI

InChI=1S/C6H14N2OS/c7-1-2-8-3-5-10(9)6-4-8/h1-7H2

InChIKey

PRZDBNBUEAQECP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 162.08269 Da
Monoisotopic Mass: -1.9
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]+	163.089966	132.7
[M+Na]+	185.071908	138.8
[M-H]-	161.075414	134.0
[M+NH4]+	180.116513	152.1
[M+K]+	201.045848	136.6
[M+H-H2O]+	145.079950	126.4
[M+HCOO]-	207.080891	148.0
[M+CH3COO]-	221.096541	176.3
[M+Na-2H]-	183.057356	134.8
[M]+	162.08214142	129.3
[M]-	162.08323858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe