CID 14617449

N-methylmorpholine-4-sulfonamide

Structural Information

Molecular Formula

C₅H₁₂N₂O₃S

SMILES

CNS(=O)(=O)N1CCOCC1

InChI

InChI=1S/C5H12N2O3S/c1-6-11(8,9)7-2-4-10-5-3-7/h6H,2-5H2,1H3

InChIKey

HJJUIWFLTIJSBL-UHFFFAOYSA-N

Compound name

N-methylmorpholine-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 180.05687 Da
Monoisotopic Mass: -1.1
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]+	181.064146	134.7
[M+Na]+	203.046088	140.8
[M-H]-	179.049594	137.2
[M+NH4]+	198.090693	152.0
[M+K]+	219.020028	140.8
[M+H-H2O]+	163.054130	128.6
[M+HCOO]-	225.055071	149.4
[M+CH3COO]-	239.070721	176.5
[M+Na-2H]-	201.031536	140.8
[M]+	180.05632142	133.7
[M]-	180.05741858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe