CID 130763439

2225127-10-4

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-9-4-5(7)3-6(8)10-2/h5H,3-4,7H2,1-2H3/t5-/m1/s1

InChIKey

KIMZHAIJRACTFU-RXMQYKEDSA-N

Compound name

methyl (3R)-3-amino-4-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -1.0
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	131.8
[M+Na]+	170.07876	138.0
[M-H]-	146.08226	131.6
[M+NH4]+	165.12336	152.6
[M+K]+	186.05270	139.1
[M+H-H2O]+	130.08680	126.7
[M+HCOO]-	192.08774	155.0
[M+CH3COO]-	206.10339	177.4
[M+Na-2H]-	168.06421	135.4
[M]+	147.08899	133.5
[M]-	147.09009	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.