CID 19261643

91893-74-2

Structural Information

Molecular Formula

C₅H₁₄N₂O₂S

SMILES

CN(C)S(=O)(=O)CCCN

InChI

InChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-4-6/h3-6H2,1-2H3

InChIKey

AYOQIIXWVSSNSR-UHFFFAOYSA-N

Compound name

3-amino-N,N-dimethylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 166.0776 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]+	167.084876	133.9
[M+Na]+	189.066818	140.6
[M-H]-	165.070324	135.3
[M+NH4]+	184.111423	154.7
[M+K]+	205.040758	140.2
[M+H-H2O]+	149.074860	128.3
[M+HCOO]-	211.075801	153.5
[M+CH3COO]-	225.091451	183.0
[M+Na-2H]-	187.052266	137.5
[M]+	166.07705142	136.3
[M]-	166.07814858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe