CID 444599

Hydroxyaminovaline

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CC(C)[C@H](C(=O)NO)N

InChI

InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1

InChIKey

USSBBYRBOWZYSB-SCSAIBSYSA-N

Compound name

(2R)-2-amino-N-hydroxy-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 132.08987 Da
Monoisotopic Mass: -0.5
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]+	133.097146	129.8
[M+Na]+	155.079088	134.9
[M-H]-	131.082594	128.4
[M+NH4]+	150.123693	149.9
[M+K]+	171.053028	135.3
[M+H-H2O]+	115.087130	124.6
[M+HCOO]-	177.088071	151.4
[M+CH3COO]-	191.103721	175.8
[M+Na-2H]-	153.064536	132.1
[M]+	132.08932142	126.1
[M]-	132.09041858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe