CID 3015533

86343-60-4

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCN(CC)CC(C)C(=O)OC

InChI

InChI=1S/C9H19NO2/c1-5-10(6-2)7-8(3)9(11)12-4/h8H,5-7H2,1-4H3

InChIKey

LIERAMMEIVRHCW-UHFFFAOYSA-N

Compound name

methyl 3-(diethylamino)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.14159 Da
Monoisotopic Mass: 1.4
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]+	174.14887	141.3
[M+Na]+	196.13081	149.6
[M+NH4]+	191.17541	148.2
[M+K]+	212.10475	145.4
[M-H]-	172.13431	140.6
[M+Na-2H]-	194.11626	143.8
[M]+	173.14104	141.9
[M]-	173.14214	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe