CID 4276436

3-(morpholinosulfonyl)pyridine

Structural Information

Molecular Formula

C₉H₁₂N₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C9H12N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h1-3,8H,4-7H2

InChIKey

BYBGTJZHRACDCL-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylsulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 228.05687 Da
Monoisotopic Mass: -0.4
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]+	229.06415	146.5
[M+Na]+	251.04609	153.4
[M-H]-	227.04959	150.7
[M+NH4]+	246.09069	160.5
[M+K]+	267.02003	151.9
[M+H-H2O]+	211.05413	138.7
[M+HCOO]-	273.05507	159.4
[M+CH3COO]-	287.07072	182.2
[M+Na-2H]-	249.03154	152.6
[M]+	228.05632	145.6
[M]-	228.05742	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe