CID 22275823

3-(methylsulfonyl)piperidine

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CS(=O)(=O)C1CCCNC1

InChI

InChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

PBJLJPZGBKCUKM-UHFFFAOYSA-N

Compound name

3-methylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 163.0667 Da
Monoisotopic Mass: -0.3
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	133.3
[M+Na]+	186.055918	139.5
[M-H]-	162.059424	133.7
[M+NH4]+	181.100523	152.3
[M+K]+	202.029858	137.2
[M+H-H2O]+	146.063960	128.0
[M+HCOO]-	208.064901	145.8
[M+CH3COO]-	222.080551	169.9
[M+Na-2H]-	184.041366	136.9
[M]+	163.06615142	129.7
[M]-	163.06724858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe