CID 247452

870-85-9

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

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

InChI

InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3

InChIKey

FARYTWBWLZAXNK-UHFFFAOYSA-N

Compound name

ethyl 3-(methylamino)but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 143.09464 Da
Monoisotopic Mass: 1.6
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]+	144.10192	132.2
[M+Na]+	166.08386	140.8
[M+NH4]+	161.12846	139.0
[M+K]+	182.05780	136.5
[M-H]-	142.08736	131.1
[M+Na-2H]-	164.06931	134.8
[M]+	143.09409	132.7
[M]-	143.09519	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe