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 143.1
[M+Na]+ 233.08967 149.4
[M-H]- 209.09317 144.4
[M+NH4]+ 228.13427 157.0
[M+K]+ 249.06361 148.9
[M+H-H2O]+ 193.09771 129.4
[M+HCOO]- 255.09865 157.0
[M+CH3COO]- 269.11430 196.0
[M+Na-2H]- 231.07512 146.6
[M]+ 210.09990 136.8
[M]- 210.10100 136.8
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