CID 21302834

322394-70-7

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CCOC(=O)C(CCOC)N

InChI

InChI=1S/C7H15NO3/c1-3-11-7(9)6(8)4-5-10-2/h6H,3-5,8H2,1-2H3

InChIKey

ZMXGJUAWEAKABJ-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.1052 Da
Monoisotopic Mass: -0.2
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]+	162.11248	136.5
[M+Na]+	184.09442	142.3
[M-H]-	160.09792	136.1
[M+NH4]+	179.13902	156.7
[M+K]+	200.06836	143.1
[M+H-H2O]+	144.10246	131.1
[M+HCOO]-	206.10340	159.3
[M+CH3COO]-	220.11905	180.4
[M+Na-2H]-	182.07987	139.6
[M]+	161.10465	138.5
[M]-	161.10575	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe