CID 63765076

3-amino-n,n-dimethylazetidine-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃N₃O₂S

SMILES

CN(C)S(=O)(=O)N1CC(C1)N

InChI

InChI=1S/C5H13N3O2S/c1-7(2)11(9,10)8-3-5(6)4-8/h5H,3-4,6H2,1-2H3

InChIKey

OSKZFYJUDRKLIC-UHFFFAOYSA-N

Compound name

3-amino-N,N-dimethylazetidine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.07285 Da
Monoisotopic Mass: -1.7
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]+	180.080126	136.4
[M+Na]+	202.062068	140.9
[M-H]-	178.065574	139.1
[M+NH4]+	197.106673	148.4
[M+K]+	218.036008	143.9
[M+H-H2O]+	162.070110	123.4
[M+HCOO]-	224.071051	152.5
[M+CH3COO]-	238.086701	188.1
[M+Na-2H]-	200.047516	138.6
[M]+	179.07230142	144.9
[M]-	179.07339858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe