CID 145874414

3-[(2,3-dimethylbutyl)(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)C(C)CN(C)CCC(=O)O

InChI

InChI=1S/C10H21NO2/c1-8(2)9(3)7-11(4)6-5-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)

InChIKey

MMGLDVHAFDFSKF-UHFFFAOYSA-N

Compound name

3-[2,3-dimethylbutyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.15723 Da
Monoisotopic Mass: -0.4
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]+	188.164506	147.5
[M+Na]+	210.146448	151.6
[M-H]-	186.149954	147.3
[M+NH4]+	205.191053	166.8
[M+K]+	226.120388	152.5
[M+H-H2O]+	170.154490	142.0
[M+HCOO]-	232.155431	167.7
[M+CH3COO]-	246.171081	190.6
[M+Na-2H]-	208.131896	147.5
[M]+	187.15668142	149.1
[M]-	187.15777858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.