CID 169671

35187-58-7

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1

InChIKey

OZMJDTPATROLQC-BYPYZUCNSA-N

Compound name

(2S)-2-amino-5-(hydroxyamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 25
Patents: 148.0848 Da
Monoisotopic Mass: -4.4
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]+	149.09208	131.1
[M+Na]+	171.07402	136.8
[M+NH4]+	166.11862	136.4
[M+K]+	187.04796	134.9
[M-H]-	147.07752	128.6
[M+Na-2H]-	169.05947	131.8
[M]+	148.08425	130.4
[M]-	148.08535	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe