CID 16769272

3-methylpiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

CC1CCCN(C1)S(=O)(=O)Cl

InChI

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

InChIKey

IJDFNZUQWMCFEU-UHFFFAOYSA-N

Compound name

3-methylpiperidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	198.03501	139.6
[M+Na]+	220.01695	150.5
[M+NH4]+	215.06155	147.9
[M+K]+	235.99089	143.3
[M-H]-	196.02045	139.8
[M+Na-2H]-	218.00240	143.6
[M]+	197.02718	141.8
[M]-	197.02828	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe