CID 88372

20120-21-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCOC(=O)CCN(C)C

InChI

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

InChIKey

IZMJWGJGVGRWBW-UHFFFAOYSA-N

Compound name

ethyl 3-(dimethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 142
Patents: 145.11028 Da
Monoisotopic Mass: 0.5
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]+	146.117556	132.5
[M+Na]+	168.099498	138.8
[M-H]-	144.103004	134.2
[M+NH4]+	163.144103	154.5
[M+K]+	184.073438	140.5
[M+H-H2O]+	128.107540	127.2
[M+HCOO]-	190.108481	157.2
[M+CH3COO]-	204.124131	181.8
[M+Na-2H]-	166.084946	137.3
[M]+	145.10973142	136.1
[M]-	145.11082858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe