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

2
References

1
Patents

210.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 150.3
[M+Na]+ 233.08967 158.9
[M+NH4]+ 228.13427 153.0
[M+K]+ 249.06361 151.6
[M-H]- 209.09317 143.6
[M+Na-2H]- 231.07512 150.2
[M]+ 210.09990 148.4
[M]- 210.10100 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe