CID 248

N,n,n-trimethylglycinium

Structural Information

Molecular Formula

C₅H₁₂NO₂

SMILES

C[N+](C)(C)CC(=O)O

InChI

InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

InChIKey

KWIUHFFTVRNATP-UHFFFAOYSA-O

Compound name

carboxymethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 5938
References: 69821
Patents: 118.08681 Da
Monoisotopic Mass: -0.1
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]+	119.094086	119.4
[M+Na]+	141.076028	126.8
[M-H]-	117.079534	120.6
[M+NH4]+	136.120633	141.9
[M+K]+	157.049968	122.3
[M+H-H2O]+	101.084070	118.6
[M+HCOO]-	163.085011	142.4
[M+CH3COO]-	177.100661	166.1
[M+Na-2H]-	139.061476	129.4
[M]+	118.08626142	118.9
[M]-	118.08735858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe