CID 165999947

N-(2-aminoethyl)-n-methylsulfamoyl fluoride hydrochloride

Structural Information

Molecular Formula

C₃H₉FN₂O₂S

SMILES

CN(CCN)S(=O)(=O)F

InChI

InChI=1S/C3H9FN2O2S/c1-6(3-2-5)9(4,7)8/h2-3,5H2,1H3

InChIKey

QGQKQOLQEJDWJX-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-N-methylsulfamoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.03688 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]+	157.044156	126.8
[M+Na]+	179.026098	134.3
[M-H]-	155.029604	127.0
[M+NH4]+	174.070703	147.8
[M+K]+	195.000038	134.0
[M+H-H2O]+	139.034140	120.5
[M+HCOO]-	201.035081	145.9
[M+CH3COO]-	215.050731	179.7
[M+Na-2H]-	177.011546	130.8
[M]+	156.03633142	127.2
[M]-	156.03742858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.