CID 75480497

1-cyclopentanecarbonylpiperidine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₁₁H₁₈ClNO₃S

SMILES

C1CCC(C1)C(=O)N2CCCC(C2)S(=O)(=O)Cl

InChI

InChI=1S/C11H18ClNO3S/c12-17(15,16)10-6-3-7-13(8-10)11(14)9-4-1-2-5-9/h9-10H,1-8H2

InChIKey

UFDFTTPRFQZBEB-UHFFFAOYSA-N

Compound name

1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06958 Da
Monoisotopic Mass: 2.0
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]+	280.076856	163.3
[M+Na]+	302.058798	168.6
[M-H]-	278.062304	167.8
[M+NH4]+	297.103403	180.6
[M+K]+	318.032738	165.0
[M+H-H2O]+	262.066840	157.8
[M+HCOO]-	324.067781	169.9
[M+CH3COO]-	338.083431	190.3
[M+Na-2H]-	300.044246	161.3
[M]+	279.06903142	161.3
[M]-	279.07012858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.