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: 31753
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	131.9
[M+Na]+	166.08386	138.1
[M-H]-	142.08736	132.3
[M+NH4]+	161.12846	153.2
[M+K]+	182.05780	138.3
[M+H-H2O]+	126.09190	127.0
[M+HCOO]-	188.09284	155.3
[M+CH3COO]-	202.10849	177.4
[M+Na-2H]-	164.06931	136.1
[M]+	143.09409	132.8
[M]-	143.09519	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe