CID 4179819

Piperazine-2,5-dicarboxylic acid dihydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

C1C(NCC(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)

InChIKey

FBYDNPVPBDAFFV-UHFFFAOYSA-N

Compound name

piperazine-2,5-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 174.06406 Da
Monoisotopic Mass: -6.2
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]+	175.071336	137.2
[M+Na]+	197.053278	141.8
[M-H]-	173.056784	132.0
[M+NH4]+	192.097883	151.3
[M+K]+	213.027218	139.4
[M+H-H2O]+	157.061320	131.0
[M+HCOO]-	219.062261	148.9
[M+CH3COO]-	233.077911	168.5
[M+Na-2H]-	195.038726	138.8
[M]+	174.06351142	128.7
[M]-	174.06460858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe