CID 61914554

2-amino-5-(dimethylamino)-2-methylpentanoic acid dihydrochloride

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CC(CCCN(C)C)(C(=O)O)N

InChI

InChI=1S/C8H18N2O2/c1-8(9,7(11)12)5-4-6-10(2)3/h4-6,9H2,1-3H3,(H,11,12)

InChIKey

BQADPYAWODDMFE-UHFFFAOYSA-N

Compound name

2-amino-5-(dimethylamino)-2-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.13683 Da
Monoisotopic Mass: -2.4
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]+	175.144106	141.3
[M+Na]+	197.126048	146.2
[M-H]-	173.129554	141.0
[M+NH4]+	192.170653	160.7
[M+K]+	213.099988	146.7
[M+H-H2O]+	157.134090	136.2
[M+HCOO]-	219.135031	163.0
[M+CH3COO]-	233.150681	187.4
[M+Na-2H]-	195.111496	144.8
[M]+	174.13628142	141.0
[M]-	174.13737858	141.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.