CID 60974846

2-methylpyrrolidine-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO₂S

SMILES

CC1CCCN1S(=O)(=O)Cl

InChI

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

InChIKey

XDUTVEHZDSNVHL-UHFFFAOYSA-N

Compound name

2-methylpyrrolidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.01208 Da
Monoisotopic Mass: 1.2
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	136.0
[M+Na]+	206.001298	145.6
[M-H]-	182.004804	138.8
[M+NH4]+	201.045903	158.0
[M+K]+	221.975238	142.9
[M+H-H2O]+	166.009340	131.9
[M+HCOO]-	228.010281	147.7
[M+CH3COO]-	242.025931	174.3
[M+Na-2H]-	203.986746	137.9
[M]+	183.01153142	138.1
[M]-	183.01262858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.