CID 64722633

2138539-43-0

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

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

InChI

InChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3

InChIKey

ZQORKKSZVASBAP-UHFFFAOYSA-N

Compound name

3-methylsulfonylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 163.0667 Da
Monoisotopic Mass: -0.4
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]+	164.07398	133.7
[M+Na]+	186.05592	141.3
[M-H]-	162.05942	137.0
[M+NH4]+	181.10052	156.2
[M+K]+	202.02986	139.5
[M+H-H2O]+	146.06396	129.1
[M+HCOO]-	208.06490	151.2
[M+CH3COO]-	222.08055	174.9
[M+Na-2H]-	184.04137	135.3
[M]+	163.06615	132.2
[M]-	163.06725	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe