CID 351980

Glycyl-dl-threonine

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

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

InChI

InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)

InChIKey

OLIFSFOFKGKIRH-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 33
Patents: 176.07971 Da
Monoisotopic Mass: -4.1
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]+	177.08699	138.5
[M+Na]+	199.06893	142.8
[M+NH4]+	194.11353	142.4
[M+K]+	215.04287	142.7
[M-H]-	175.07243	134.7
[M+Na-2H]-	197.05438	137.5
[M]+	176.07916	137.1
[M]-	176.08026	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe