CID 54857389

2-methyl-2-(piperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CC(C)(C(=O)O)N1CCNCC1

InChI

InChI=1S/C8H16N2O2/c1-8(2,7(11)12)10-5-3-9-4-6-10/h9H,3-6H2,1-2H3,(H,11,12)

InChIKey

GJWWEBIRTIIEGM-UHFFFAOYSA-N

Compound name

2-methyl-2-piperazin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 172.12119 Da
Monoisotopic Mass: -2.5
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]+	173.128466	140.9
[M+Na]+	195.110408	145.2
[M-H]-	171.113914	138.1
[M+NH4]+	190.155013	156.7
[M+K]+	211.084348	143.5
[M+H-H2O]+	155.118450	134.6
[M+HCOO]-	217.119391	153.8
[M+CH3COO]-	231.135041	173.9
[M+Na-2H]-	193.095856	145.1
[M]+	172.12064142	134.5
[M]-	172.12173858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe