CID 6446659

4-morpholinecrotonic acid, beta-ethoxy-, ethyl ester

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCO/C(=C/C(=O)OCC)/CN1CCOCC1
InChI
InChI=1S/C12H21NO4/c1-3-16-11(9-12(14)17-4-2)10-13-5-7-15-8-6-13/h9H,3-8,10H2,1-2H3/b11-9+
InChIKey
ODPRCFJGPMKMIE-PKNBQFBNSA-N
Compound name
ethyl (E)-3-ethoxy-4-morpholin-4-ylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 158.0
[M+Na]+ 266.13628 161.1
[M-H]- 242.13978 159.2
[M+NH4]+ 261.18088 172.3
[M+K]+ 282.11022 161.8
[M+H-H2O]+ 226.14432 150.5
[M+HCOO]- 288.14526 174.3
[M+CH3COO]- 302.16091 190.9
[M+Na-2H]- 264.12173 160.2
[M]+ 243.14651 158.8
[M]- 243.14761 158.8
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

No patent data available for this compound.