CID 49852348

N-hydroxy-l-isoleucinate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-3-4(2)5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

InChIKey

YEGAKLYOVHUQIJ-WHFBIAKZSA-N

Compound name

(2S,3S)-2-(hydroxyamino)-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
Patents: 147.08954 Da
Monoisotopic Mass: -1.7
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]+	148.09682	132.2
[M+Na]+	170.07876	138.9
[M+NH4]+	165.12336	137.9
[M+K]+	186.05270	136.9
[M-H]-	146.08226	129.5
[M+Na-2H]-	168.06421	133.1
[M]+	147.08899	131.8
[M]-	147.09009	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe