CID 21643693

2-[(carboxymethyl)amino]butanoic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CCC(C(=O)O)NCC(=O)O

InChI

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

InChIKey

PZPNLEVBOHAOJE-UHFFFAOYSA-N

Compound name

2-(carboxymethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 161.0688 Da
Monoisotopic Mass: -2.4
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]+	162.07608	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

No literature data available for this compound.

Patent stripe

patents stripe