CID 165655594

2803863-91-2

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(CCN)(C(=O)OC)O

InChI

InChI=1S/C6H13NO3/c1-6(9,3-4-7)5(8)10-2/h9H,3-4,7H2,1-2H3

InChIKey

SGIOPLYITVGFMF-UHFFFAOYSA-N

Compound name

methyl 4-amino-2-hydroxy-2-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -0.9
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	131.7
[M+Na]+	170.078758	138.1
[M-H]-	146.082264	130.3
[M+NH4]+	165.123363	151.9
[M+K]+	186.052698	138.2
[M+H-H2O]+	130.086800	127.4
[M+HCOO]-	192.087741	152.7
[M+CH3COO]-	206.103391	174.2
[M+Na-2H]-	168.064206	136.8
[M]+	147.08899142	131.6
[M]-	147.09008858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.