CID 55290726

71776-75-5

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,7H2,1-3H3/t4-,5+/m1/s1

InChIKey

ZGSFKAVIRXLMRI-UHNVWZDZSA-N

Compound name

methyl (2S,3R)-2-amino-3-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 147.08954 Da
Monoisotopic Mass: -0.5
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	132.1
[M+Na]+	170.07876	138.1
[M-H]-	146.08226	132.1
[M+NH4]+	165.12336	152.9
[M+K]+	186.05270	139.7
[M+H-H2O]+	130.08680	127.1
[M+HCOO]-	192.08774	154.3
[M+CH3COO]-	206.10339	178.3
[M+Na-2H]-	168.06421	134.5
[M]+	147.08899	133.2
[M]-	147.09009	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe