CID 12030109

Ethyl (3e)-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]+ 206.081176 143.7
[M+Na]+ 228.063118 150.7
[M-H]- 204.066624 145.7
[M+NH4]+ 223.107723 161.1
[M+K]+ 244.037058 148.9
[M+H-H2O]+ 188.071160 136.7
[M+HCOO]- 250.072101 165.7
[M+CH3COO]- 264.087751 183.8
[M+Na-2H]- 226.048566 148.6
[M]+ 205.07335142 145.7
[M]- 205.07444858 145.7
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.