CID 11161

556-33-2

Structural Information

Molecular Formula

C₆H₁₁N₃O₄

SMILES

C(C(=O)NCC(=O)NCC(=O)O)N

InChI

InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)

InChIKey

XKUKSGPZAADMRA-UHFFFAOYSA-N

Compound name

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 168
References: 89909
Patents: 189.07495 Da
Monoisotopic Mass: -3.6
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]+	190.082226	139.5
[M+Na]+	212.064168	143.7
[M-H]-	188.067674	137.8
[M+NH4]+	207.108773	156.6
[M+K]+	228.038108	143.8
[M+H-H2O]+	172.072210	133.1
[M+HCOO]-	234.073151	162.6
[M+CH3COO]-	248.088801	186.1
[M+Na-2H]-	210.049616	141.8
[M]+	189.07440142	136.7
[M]-	189.07549858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe