CID 21803000

Cyclopentylmethanesulfonamide

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

C1CCC(C1)CS(=O)(=O)N

InChI

InChI=1S/C6H13NO2S/c7-10(8,9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,7,8,9)

InChIKey

VLZJIHHRAQMQSJ-UHFFFAOYSA-N

Compound name

cyclopentylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 163.0667 Da
Monoisotopic Mass: 0.8
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]+	164.073976	134.3
[M+Na]+	186.055918	141.0
[M-H]-	162.059424	137.2
[M+NH4]+	181.100523	156.5
[M+K]+	202.029858	139.2
[M+H-H2O]+	146.063960	129.4
[M+HCOO]-	208.064901	151.8
[M+CH3COO]-	222.080551	173.7
[M+Na-2H]-	184.041366	136.5
[M]+	163.06615142	132.4
[M]-	163.06724858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe