CID 2769957

223562-03-6

Structural Information

Molecular Formula

C₁₂H₁₅NO₄S

SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO4S/c14-12(15)11-8-4-5-9-13(11)18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)

InChIKey

LPHNSRGOBYCMLU-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)piperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 10
Patents: 269.07217 Da
Monoisotopic Mass: 1.5
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]+	270.07945	157.4
[M+Na]+	292.06139	167.4
[M+NH4]+	287.10599	163.8
[M+K]+	308.03533	161.4
[M-H]-	268.06489	158.2
[M+Na-2H]-	290.04684	162.5
[M]+	269.07162	159.2
[M]-	269.07272	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe