CID 127021030

Chebi:193081

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

C[C@H](CC(=O)O)NCC(=O)O

InChI

InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1

InChIKey

VRGLRLBEHJTRMK-SCSAIBSYSA-N

Compound name

(3R)-3-(carboxymethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.0688 Da
Monoisotopic Mass: -3.0
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]+	162.07608	133.9
[M+Na]+	184.05802	139.1
[M-H]-	160.06152	131.3
[M+NH4]+	179.10262	152.5
[M+K]+	200.03196	139.1
[M+H-H2O]+	144.06606	128.9
[M+HCOO]-	206.06700	153.9
[M+CH3COO]-	220.08265	175.8
[M+Na-2H]-	182.04347	136.2
[M]+	161.06825	132.8
[M]-	161.06935	132.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.