CID 121831

[(2r)-2-amino-3-carboxypropyl]trimethylazanium

Structural Information

Molecular Formula

C₇H₁₇N₂O₂

SMILES

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

InChI

InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/p+1/t6-/m1/s1

InChIKey

DAWBGYHPBBDHMQ-ZCFIWIBFSA-O

Compound name

[(2R)-2-amino-3-carboxypropyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 37
References: 266
Patents: 161.129 Da
Monoisotopic Mass: -3.4
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]+	162.13628	133.3
[M+Na]+	184.11822	142.3
[M+NH4]+	179.16282	140.9
[M+K]+	200.09216	140.3
[M-H]-	160.12172	133.8
[M+Na-2H]-	182.10367	136.6
[M]+	161.12845	134.7
[M]-	161.12955	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe