CID 75346

Ethyl 3-ethoxy-3-iminopropanoate

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CCOC(=N)CC(=O)OCC

InChI

InChI=1S/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h8H,3-5H2,1-2H3

InChIKey

ZAKAONRTRWRIJT-UHFFFAOYSA-N

Compound name

ethyl 3-ethoxy-3-iminopropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1279
Patents: 159.08954 Da
Monoisotopic Mass: 1.0
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]+	160.096816	134.6
[M+Na]+	182.078758	140.8
[M-H]-	158.082264	134.9
[M+NH4]+	177.123363	155.2
[M+K]+	198.052698	141.4
[M+H-H2O]+	142.086800	129.4
[M+HCOO]-	204.087741	158.3
[M+CH3COO]-	218.103391	179.5
[M+Na-2H]-	180.064206	138.9
[M]+	159.08899142	137.0
[M]-	159.09008858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe