CID 54452961

1820649-90-8

Structural Information

Molecular Formula

C₄H₁₂N₂O₂S

SMILES

CNCCS(=O)(=O)NC

InChI

InChI=1S/C4H12N2O2S/c1-5-3-4-9(7,8)6-2/h5-6H,3-4H2,1-2H3

InChIKey

XYZQVHXHCRTPLA-UHFFFAOYSA-N

Compound name

N-methyl-2-(methylamino)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 152.06195 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]+	153.06923	129.2
[M+Na]+	175.05117	136.2
[M-H]-	151.05467	129.8
[M+NH4]+	170.09577	150.2
[M+K]+	191.02511	134.9
[M+H-H2O]+	135.05921	124.0
[M+HCOO]-	197.06015	149.2
[M+CH3COO]-	211.07580	177.2
[M+Na-2H]-	173.03662	134.9
[M]+	152.06140	130.9
[M]-	152.06250	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe