CID 12030109

(e)-ethyl 2-oxo-4-(pyridin-3-yl)but-3-enoate

Structural Information

Molecular Formula
C11H11NO3
SMILES
CCOC(=O)C(=O)/C=C/C1=CN=CC=C1
InChI
InChI=1S/C11H11NO3/c1-2-15-11(14)10(13)6-5-9-4-3-7-12-8-9/h3-8H,2H2,1H3/b6-5+
InChIKey
IJSWFJIAEGIIMY-AATRIKPKSA-N
Compound name
ethyl (E)-2-oxo-4-pyridin-3-ylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.0
[M+Na]+ 228.06312 156.4
[M+NH4]+ 223.10772 151.2
[M+K]+ 244.03706 151.0
[M-H]- 204.06662 144.7
[M+Na-2H]- 226.04857 150.3
[M]+ 205.07335 146.2
[M]- 205.07445 146.2
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.