CID 12642261

Ethyl 2-acetamidoprop-2-enoate

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCOC(=O)C(=C)NC(=O)C

InChI

InChI=1S/C7H11NO3/c1-4-11-7(10)5(2)8-6(3)9/h2,4H2,1,3H3,(H,8,9)

InChIKey

AJTPFZSLRYHOCT-UHFFFAOYSA-N

Compound name

ethyl 2-acetamidoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 157.0739 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]+	158.08118	134.5
[M+Na]+	180.06312	142.3
[M+NH4]+	175.10772	140.3
[M+K]+	196.03706	139.2
[M-H]-	156.06662	132.3
[M+Na-2H]-	178.04857	136.1
[M]+	157.07335	134.4
[M]-	157.07445	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe