CID 86811749

Methyl 4-amino-3-methoxybutanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

COC(CC(=O)OC)CN

InChI

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

InChIKey

VQMCIOCVNDYQIJ-UHFFFAOYSA-N

Compound name

methyl 4-amino-3-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	131.2
[M+Na]+	170.07876	139.2
[M+NH4]+	165.12336	137.7
[M+K]+	186.05270	136.0
[M-H]-	146.08226	129.6
[M+Na-2H]-	168.06421	133.3
[M]+	147.08899	131.4
[M]-	147.09009	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe