CID 25202133

N,n-dihydroxy-l-valinate

Structural Information

Molecular Formula

C₅H₁₁NO₄

SMILES

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

InChI

InChI=1S/C5H11NO4/c1-3(2)4(5(7)8)6(9)10/h3-4,9-10H,1-2H3,(H,7,8)/t4-/m0/s1

InChIKey

VWRMUTKBDQWLAX-BYPYZUCNSA-N

Compound name

(2S)-2-(dihydroxyamino)-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 149.0688 Da
Monoisotopic Mass: -2.0
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]+	150.07608	130.8
[M+Na]+	172.05802	136.0
[M-H]-	148.06152	128.6
[M+NH4]+	167.10262	150.0
[M+K]+	188.03196	137.4
[M+H-H2O]+	132.06606	126.1
[M+HCOO]-	194.06700	150.1
[M+CH3COO]-	208.08265	174.7
[M+Na-2H]-	170.04347	132.4
[M]+	149.06825	129.5
[M]-	149.06935	129.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.