CID 45082448

134579-52-5

Structural Information

Molecular Formula

C₅H₁₀N₂O₄

SMILES

C(CNC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C5H10N2O4/c6-3(4(8)9)1-2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)

InChIKey

VBRRHOUCOVRPEH-UHFFFAOYSA-N

Compound name

2-amino-4-(carboxyamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 162.06406 Da
Monoisotopic Mass: -4.3
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]+	163.071336	133.5
[M+Na]+	185.053278	138.2
[M-H]-	161.056784	130.5
[M+NH4]+	180.097883	151.4
[M+K]+	201.027218	138.2
[M+H-H2O]+	145.061320	128.0
[M+HCOO]-	207.062261	154.2
[M+CH3COO]-	221.077911	176.9
[M+Na-2H]-	183.038726	135.4
[M]+	162.06351142	130.1
[M]-	162.06460858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe