CID 519344

4-methanesulfonylmorpholine

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

CS(=O)(=O)N1CCOCC1

InChI

InChI=1S/C5H11NO3S/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3

InChIKey

GVZKQMUSVBGSIZ-UHFFFAOYSA-N

Compound name

4-methylsulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 565
Patents: 165.04596 Da
Monoisotopic Mass: -0.9
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]+	166.05324	130.6
[M+Na]+	188.03518	137.6
[M-H]-	164.03868	133.3
[M+NH4]+	183.07978	148.9
[M+K]+	204.00912	138.0
[M+H-H2O]+	148.04322	125.0
[M+HCOO]-	210.04416	144.4
[M+CH3COO]-	224.05981	171.6
[M+Na-2H]-	186.02063	136.2
[M]+	165.04541	130.4
[M]-	165.04651	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe