CID 22636994

N-cyclopropyl-n-methylsulfamoyl chloride

Structural Information

Molecular Formula

C₄H₈ClNO₂S

SMILES

CN(C1CC1)S(=O)(=O)Cl

InChI

InChI=1S/C4H8ClNO2S/c1-6(4-2-3-4)9(5,7)8/h4H,2-3H2,1H3

InChIKey

RUNYZAPPVYTBFW-UHFFFAOYSA-N

Compound name

N-cyclopropyl-N-methylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 168.99643 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]+	170.003706	126.8
[M+Na]+	191.985648	136.7
[M-H]-	167.989154	133.1
[M+NH4]+	187.030253	143.9
[M+K]+	207.959588	134.2
[M+H-H2O]+	151.993690	121.9
[M+HCOO]-	213.994631	142.4
[M+CH3COO]-	228.010281	181.5
[M+Na-2H]-	189.971096	131.8
[M]+	168.99588142	133.3
[M]-	168.99697858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe