CID 50987895

Ethyl 2-amino-2-methyloctanoate

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CCCCCCC(C)(C(=O)OCC)N

InChI

InChI=1S/C11H23NO2/c1-4-6-7-8-9-11(3,12)10(13)14-5-2/h4-9,12H2,1-3H3

InChIKey

BBYBOXVLCIYBFG-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-methyloctanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.17288 Da
Monoisotopic Mass: 2.7
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]+	202.180156	151.4
[M+Na]+	224.162098	156.3
[M-H]-	200.165604	150.6
[M+NH4]+	219.206703	170.3
[M+K]+	240.136038	155.5
[M+H-H2O]+	184.170140	146.2
[M+HCOO]-	246.171081	172.1
[M+CH3COO]-	260.186731	190.0
[M+Na-2H]-	222.147546	154.4
[M]+	201.17233142	153.7
[M]-	201.17342858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.