CID 54594619

N-(cyclopropylmethyl)-n-methylsulfamoyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO₂S

SMILES

CN(CC1CC1)S(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO2S/c1-7(10(6,8)9)4-5-2-3-5/h5H,2-4H2,1H3

InChIKey

GPRTVPRJLPKURR-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-N-methylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.01208 Da
Monoisotopic Mass: 1.0
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]+	184.019356	131.0
[M+Na]+	206.001298	140.5
[M-H]-	182.004804	137.1
[M+NH4]+	201.045903	147.6
[M+K]+	221.975238	137.7
[M+H-H2O]+	166.009340	126.0
[M+HCOO]-	228.010281	146.3
[M+CH3COO]-	242.025931	184.4
[M+Na-2H]-	203.986746	135.6
[M]+	183.01153142	137.9
[M]-	183.01262858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.