CID 20177

4202-74-8

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

C(C(=O)OC(=O)CN)N

InChI

InChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2

InChIKey

YTMCUIACOKRXQA-UHFFFAOYSA-N

Compound name

(2-aminoacetyl) 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1718
Patents: 132.0535 Da
Monoisotopic Mass: -1.9
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]+	133.06078	125.5
[M+Na]+	155.04272	131.9
[M-H]-	131.04622	125.1
[M+NH4]+	150.08732	146.1
[M+K]+	171.01666	132.5
[M+H-H2O]+	115.05076	120.1
[M+HCOO]-	177.05170	149.8
[M+CH3COO]-	191.06735	174.2
[M+Na-2H]-	153.02817	129.2
[M]+	132.05295	123.7
[M]-	132.05405	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe