CID 20759852

Hydroxyleucine

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-4(2)3-5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t5-/m0/s1

InChIKey

HJEXNFCNNXWHLC-YFKPBYRVSA-N

Compound name

(2S)-2-(hydroxyamino)-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 343
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]+	148.096816	133.0
[M+Na]+	170.078758	138.0
[M-H]-	146.082264	130.5
[M+NH4]+	165.123363	152.3
[M+K]+	186.052698	138.1
[M+H-H2O]+	130.086800	128.2
[M+HCOO]-	192.087741	152.6
[M+CH3COO]-	206.103391	174.6
[M+Na-2H]-	168.064206	135.2
[M]+	147.08899142	131.2
[M]-	147.09008858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.