CID 54265401

Akos006347746

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(CCN)(CC(=O)O)O

InChI

InChI=1S/C6H13NO3/c1-6(10,2-3-7)4-5(8)9/h10H,2-4,7H2,1H3,(H,8,9)

InChIKey

RGJZFQCJSGNLPV-UHFFFAOYSA-N

Compound name

5-amino-3-hydroxy-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.08954 Da
Monoisotopic Mass: -3.6
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	132.2
[M+Na]+	170.078758	138.1
[M-H]-	146.082264	129.3
[M+NH4]+	165.123363	151.5
[M+K]+	186.052698	137.2
[M+H-H2O]+	130.086800	128.0
[M+HCOO]-	192.087741	151.7
[M+CH3COO]-	206.103391	172.4
[M+Na-2H]-	168.064206	136.7
[M]+	147.08899142	130.2
[M]-	147.09008858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe