CID 59751961

4-(azetidin-3-yl)thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula

C₇H₁₄N₂O₂S

SMILES

C1CS(=O)(=O)CCN1C2CNC2

InChI

InChI=1S/C7H14N2O2S/c10-12(11)3-1-9(2-4-12)7-5-8-6-7/h7-8H,1-6H2

InChIKey

AIERFJIBCCZHKK-UHFFFAOYSA-N

Compound name

4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 190.0776 Da
Monoisotopic Mass: -1.2
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]+	191.08488	136.3
[M+Na]+	213.06682	141.4
[M+NH4]+	208.11142	141.2
[M+K]+	229.04076	135.3
[M-H]-	189.07032	134.4
[M+Na-2H]-	211.05227	139.5
[M]+	190.07705	135.6
[M]-	190.07815	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe