CID 216641

18928-01-3

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

CC(=O)N(CCC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1

InChIKey

LUZHSHCYVQASCO-LURJTMIESA-N

Compound name

(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 88
Patents: 190.09535 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]+	191.10263	142.4
[M+Na]+	213.08457	147.1
[M+NH4]+	208.12917	146.6
[M+K]+	229.05851	146.5
[M-H]-	189.08807	139.1
[M+Na-2H]-	211.07002	141.8
[M]+	190.09480	141.3
[M]-	190.09590	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe