CID 96643

2-(dimethylamino)ethyl propionate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCC(=O)OCCN(C)C

InChI

InChI=1S/C7H15NO2/c1-4-7(9)10-6-5-8(2)3/h4-6H2,1-3H3

InChIKey

UVSPBAFXKQMDBG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 145.11028 Da
Monoisotopic Mass: 0.6
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]+	146.11756	132.2
[M+Na]+	168.09950	141.3
[M+NH4]+	163.14410	139.7
[M+K]+	184.07344	136.8
[M-H]-	144.10300	131.9
[M+Na-2H]-	166.08495	135.6
[M]+	145.10973	133.1
[M]-	145.11083	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe