CID 2724995

Burgess reagent

Structural Information

Molecular Formula

C₈H₁₉N₂O₄S

SMILES

CC[N+](CC)(CC)S(=O)(=O)NC(=O)OC

InChI

InChI=1S/C8H18N2O4S/c1-5-10(6-2,7-3)15(12,13)9-8(11)14-4/h5-7H2,1-4H3/p+1

InChIKey

YSHOWEKUVWPFNR-UHFFFAOYSA-O

Compound name

triethyl(methoxycarbonylsulfamoyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1764
Patents: 239.10655 Da
Monoisotopic Mass: 0.9
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]+	240.11383	146.8
[M+Na]+	262.09577	152.6
[M-H]-	238.09927	148.7
[M+NH4]+	257.14037	164.9
[M+K]+	278.06971	147.0
[M+H-H2O]+	222.10381	144.1
[M+HCOO]-	284.10475	164.9
[M+CH3COO]-	298.12040	187.4
[M+Na-2H]-	260.08122	154.5
[M]+	239.10600	150.6
[M]-	239.10710	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe