CID 10920638

Ethyl 2-ethoxy-2-iminoacetate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CCOC(=N)C(=O)OCC

InChI

InChI=1S/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3

InChIKey

DSHWMBCJDOGPTB-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxy-2-iminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 595
Patents: 145.0739 Da
Monoisotopic Mass: 1.2
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]+	146.08118	130.2
[M+Na]+	168.06312	136.8
[M-H]-	144.06662	130.7
[M+NH4]+	163.10772	151.4
[M+K]+	184.03706	137.7
[M+H-H2O]+	128.07116	125.2
[M+HCOO]-	190.07210	154.2
[M+CH3COO]-	204.08775	175.8
[M+Na-2H]-	166.04857	134.9
[M]+	145.07335	132.0
[M]-	145.07445	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe