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]+ 244.154336 158.0
[M+Na]+ 266.136278 161.1
[M-H]- 242.139784 159.2
[M+NH4]+ 261.180883 172.3
[M+K]+ 282.110218 161.8
[M+H-H2O]+ 226.144320 150.5
[M+HCOO]- 288.145261 174.3
[M+CH3COO]- 302.160911 190.9
[M+Na-2H]- 264.121726 160.2
[M]+ 243.14651142 158.8
[M]- 243.14760858 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.