CID 248

Trimethyl glycine

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

9
Annotation Hits: 5897
References: 42678
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	120.7
[M+Na]+	141.07603	132.0
[M+NH4]+	136.12063	129.5
[M+K]+	157.04997	129.0
[M-H]-	117.07953	121.5
[M+Na-2H]-	139.06148	125.7
[M]+	118.08626	122.7
[M]-	118.08736	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe