CID 55281669

1011478-57-1

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

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

InChIKey

PKZCMYOGIKCTFK-BYPYZUCNSA-N

Compound name

methyl (2R)-2-amino-3-hydroxy-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 147.08954 Da
Monoisotopic Mass: -0.8
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	131.6
[M+Na]+	170.078758	137.9
[M-H]-	146.082264	130.4
[M+NH4]+	165.123363	151.8
[M+K]+	186.052698	138.5
[M+H-H2O]+	130.086800	127.5
[M+HCOO]-	192.087741	151.7
[M+CH3COO]-	206.103391	175.1
[M+Na-2H]-	168.064206	135.5
[M]+	147.08899142	130.9
[M]-	147.09008858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe