CID 5247411

Piperidine-3,4-dicarboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

C1CNCC(C1C(=O)O)C(=O)O

InChI

InChI=1S/C7H11NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)

InChIKey

UBLWASUIZDSYFN-UHFFFAOYSA-N

Compound name

piperidine-3,4-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 173.0688 Da
Monoisotopic Mass: -3.3
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]+	174.07608	136.6
[M+Na]+	196.05802	144.1
[M+NH4]+	191.10262	141.8
[M+K]+	212.03196	142.0
[M-H]-	172.06152	134.0
[M+Na-2H]-	194.04347	137.7
[M]+	173.06825	136.2
[M]-	173.06935	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe