CID 39870873

1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₃

SMILES

C1CN(CCC1C(=O)O)C(=O)N2CCNCC2

InChI

InChI=1S/C11H19N3O3/c15-10(16)9-1-5-13(6-2-9)11(17)14-7-3-12-4-8-14/h9,12H,1-8H2,(H,15,16)

InChIKey

UAQHAHZPESLMQZ-UHFFFAOYSA-N

Compound name

1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.14264 Da
Monoisotopic Mass: -3.2
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]+	242.149916	158.5
[M+Na]+	264.131858	160.3
[M-H]-	240.135364	156.5
[M+NH4]+	259.176463	169.4
[M+K]+	280.105798	157.6
[M+H-H2O]+	224.139900	149.5
[M+HCOO]-	286.140841	167.1
[M+CH3COO]-	300.156491	184.8
[M+Na-2H]-	262.117306	158.1
[M]+	241.14209142	147.7
[M]-	241.14318858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.