CID 130225324

1839621-69-0

Structural Information

Molecular Formula

C₆H₁₀FNO₄S

SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)F

InChI

InChI=1S/C6H10FNO4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)

InChIKey

INNKMRBKVRNGQM-UHFFFAOYSA-N

Compound name

1-fluorosulfonylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.03146 Da
Monoisotopic Mass: 0.1
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]+	212.03874	139.6
[M+Na]+	234.02068	146.2
[M-H]-	210.02418	138.9
[M+NH4]+	229.06528	156.4
[M+K]+	249.99462	144.4
[M+H-H2O]+	194.02872	133.4
[M+HCOO]-	256.02966	150.5
[M+CH3COO]-	270.04531	178.0
[M+Na-2H]-	232.00613	141.4
[M]+	211.03091	136.8
[M]-	211.03201	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe