CID 352310

Diethyl 3,3'-iminodipropionate

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CCOC(=O)CCNCCC(=O)OCC

InChI

InChI=1S/C10H19NO4/c1-3-14-9(12)5-7-11-8-6-10(13)15-4-2/h11H,3-8H2,1-2H3

InChIKey

ONEIYJQBXMVMKU-UHFFFAOYSA-N

Compound name

ethyl 3-[(3-ethoxy-3-oxopropyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 217.13141 Da
Monoisotopic Mass: 0.2
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]+	218.138686	151.0
[M+Na]+	240.120628	155.8
[M-H]-	216.124134	150.7
[M+NH4]+	235.165233	169.2
[M+K]+	256.094568	156.2
[M+H-H2O]+	200.128670	144.9
[M+HCOO]-	262.129611	173.9
[M+CH3COO]-	276.145261	190.6
[M+Na-2H]-	238.106076	153.7
[M]+	217.13086142	155.9
[M]-	217.13195858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe