CID 98153

926-77-2

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)

InChIKey

VPZXBVLAVMBEQI-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 42
References: 2938
Patents: 146.06914 Da
Monoisotopic Mass: -3.7
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]+	147.07642	130.8
[M+Na]+	169.05836	136.1
[M-H]-	145.06186	129.3
[M+NH4]+	164.10296	150.2
[M+K]+	185.03230	136.4
[M+H-H2O]+	129.06640	125.4
[M+HCOO]-	191.06734	152.8
[M+CH3COO]-	205.08299	177.0
[M+Na-2H]-	167.04381	133.2
[M]+	146.06859	127.8
[M]-	146.06969	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe