CID 43267085

N-cyclopentyl-n-methylsulfamoyl chloride

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

CN(C1CCCC1)S(=O)(=O)Cl

InChI

InChI=1S/C6H12ClNO2S/c1-8(11(7,9)10)6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey

MGSFUELEYCQKFE-UHFFFAOYSA-N

Compound name

N-cyclopentyl-N-methylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.02773 Da
Monoisotopic Mass: 1.6
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]+	198.035006	141.1
[M+Na]+	220.016948	148.7
[M-H]-	196.020454	146.2
[M+NH4]+	215.061553	163.8
[M+K]+	235.990888	146.8
[M+H-H2O]+	180.024990	136.9
[M+HCOO]-	242.025931	155.3
[M+CH3COO]-	256.041581	181.7
[M+Na-2H]-	218.002396	143.2
[M]+	197.02718142	143.3
[M]-	197.02827858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.