CID 14161567

Ethyl 4-ethoxy-4-iminobutanoate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CCOC(=N)CCC(=O)OCC

InChI

InChI=1S/C8H15NO3/c1-3-11-7(9)5-6-8(10)12-4-2/h9H,3-6H2,1-2H3

InChIKey

XUPUEDDHOLTGNC-UHFFFAOYSA-N

Compound name

ethyl 4-ethoxy-4-iminobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.1052 Da
Monoisotopic Mass: 1.3
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]+	174.11248	139.4
[M+Na]+	196.09442	147.3
[M+NH4]+	191.13902	145.4
[M+K]+	212.06836	143.3
[M-H]-	172.09792	137.7
[M+Na-2H]-	194.07987	141.3
[M]+	173.10465	139.5
[M]-	173.10575	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe