CID 16726422

744266-99-7

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCCCCN(C)CCC(=O)OC

InChI

InChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3

InChIKey

ZWKFEVVFVAGPDE-UHFFFAOYSA-N

Compound name

methyl 3-[methyl(pentyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 187.15723 Da
Monoisotopic Mass: 1.9
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]+	188.16451	145.4
[M+Na]+	210.14645	153.9
[M+NH4]+	205.19105	152.4
[M+K]+	226.12039	148.7
[M-H]-	186.14995	145.0
[M+Na-2H]-	208.13190	148.1
[M]+	187.15668	146.2
[M]-	187.15778	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe