CID 60205087

2,2-dimethyl-3-(piperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(CN1CCNCC1)C(=O)O

InChI

InChI=1S/C9H18N2O2/c1-9(2,8(12)13)7-11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H,12,13)

InChIKey

SRFQGGILXTWIKS-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-piperazin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 186.13683 Da
Monoisotopic Mass: -2.2
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]+	187.144106	145.4
[M+Na]+	209.126048	149.2
[M-H]-	185.129554	142.4
[M+NH4]+	204.170653	160.6
[M+K]+	225.099988	147.3
[M+H-H2O]+	169.134090	138.9
[M+HCOO]-	231.135031	157.9
[M+CH3COO]-	245.150681	176.9
[M+Na-2H]-	207.111496	149.0
[M]+	186.13628142	139.3
[M]-	186.13737858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe