CID 93131

Glycylsarcosine

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)

InChIKey

VYAMLSCELQQRAE-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)-methylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 316
References: 854
Patents: 146.06914 Da
Monoisotopic Mass: -3.9
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]+	147.07642	130.1
[M+Na]+	169.05836	135.8
[M-H]-	145.06186	130.1
[M+NH4]+	164.10296	150.3
[M+K]+	185.03230	137.1
[M+H-H2O]+	129.06640	124.6
[M+HCOO]-	191.06734	153.7
[M+CH3COO]-	205.08299	179.4
[M+Na-2H]-	167.04381	133.1
[M]+	146.06859	129.1
[M]-	146.06969	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe