CID 439370

Chebi:57820

Structural Information

Molecular Formula

C₆H₁₄N₂O₃

SMILES

C(CCNO)C[C@@H](C(=O)O)N

InChI

InChI=1S/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1

InChIKey

FZQOIMPLZAYIKU-YFKPBYRVSA-N

Compound name

(2S)-2-amino-6-(hydroxyamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 129
Patents: 162.10045 Da
Monoisotopic Mass: -3.0
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]+	163.10773	136.1
[M+Na]+	185.08967	140.4
[M-H]-	161.09317	132.9
[M+NH4]+	180.13427	154.2
[M+K]+	201.06361	139.7
[M+H-H2O]+	145.09771	130.5
[M+HCOO]-	207.09865	157.1
[M+CH3COO]-	221.11430	178.3
[M+Na-2H]-	183.07512	138.8
[M]+	162.09990	133.1
[M]-	162.10100	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe