CID 20060129

4-(dimethylamino)butane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula

C₆H₁₄ClNO₂S

SMILES

CN(C)CCCCS(=O)(=O)Cl

InChI

InChI=1S/C6H14ClNO2S/c1-8(2)5-3-4-6-11(7,9)10/h3-6H2,1-2H3

InChIKey

FDXPSUPKABTYGL-UHFFFAOYSA-N

Compound name

4-(dimethylamino)butane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.04338 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]+	200.05066	139.8
[M+Na]+	222.03260	147.7
[M-H]-	198.03610	141.9
[M+NH4]+	217.07720	160.9
[M+K]+	238.00654	145.6
[M+H-H2O]+	182.04064	135.7
[M+HCOO]-	244.04158	154.3
[M+CH3COO]-	258.05723	185.7
[M+Na-2H]-	220.01805	143.2
[M]+	199.04283	146.2
[M]-	199.04393	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe