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: 5918
References: 63412
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]+	119.09409	119.4
[M+Na]+	141.07603	126.8
[M-H]-	117.07953	120.6
[M+NH4]+	136.12063	141.9
[M+K]+	157.04997	122.3
[M+H-H2O]+	101.08407	118.6
[M+HCOO]-	163.08501	142.4
[M+CH3COO]-	177.10066	166.1
[M+Na-2H]-	139.06148	129.4
[M]+	118.08626	118.9
[M]-	118.08736	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe