CID 246644

2-cyano-3-morpholin-4-yl-acrylic acid ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CCOC(=O)C(=CN1CCOCC1)C#N

InChI

InChI=1S/C10H14N2O3/c1-2-15-10(13)9(7-11)8-12-3-5-14-6-4-12/h8H,2-6H2,1H3

InChIKey

JEUHJKUDMBBWLQ-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-morpholin-4-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.10045 Da
Monoisotopic Mass: 0.4
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]+	211.107726	143.1
[M+Na]+	233.089668	149.4
[M-H]-	209.093174	144.4
[M+NH4]+	228.134273	157.0
[M+K]+	249.063608	148.9
[M+H-H2O]+	193.097710	129.4
[M+HCOO]-	255.098651	157.0
[M+CH3COO]-	269.114301	196.0
[M+Na-2H]-	231.075116	146.6
[M]+	210.09990142	136.8
[M]-	210.10099858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe