CID 4838

Piperidine-4-sulfonic acid

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1CNCCC1S(=O)(=O)O

InChI

InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)

InChIKey

UGBJGGRINDTHIH-UHFFFAOYSA-N

Compound name

piperidine-4-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 46
References: 576
Patents: 165.04596 Da
Monoisotopic Mass: -3.0
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]+	166.05324	132.8
[M+Na]+	188.03518	141.1
[M+NH4]+	183.07978	139.7
[M+K]+	204.00912	136.0
[M-H]-	164.03868	131.3
[M+Na-2H]-	186.02063	135.5
[M]+	165.04541	133.6
[M]-	165.04651	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe