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]+ 206.08118 143.7
[M+Na]+ 228.06312 150.7
[M-H]- 204.06662 145.7
[M+NH4]+ 223.10772 161.1
[M+K]+ 244.03706 148.9
[M+H-H2O]+ 188.07116 136.7
[M+HCOO]- 250.07210 165.7
[M+CH3COO]- 264.08775 183.8
[M+Na-2H]- 226.04857 148.6
[M]+ 205.07335 145.7
[M]- 205.07445 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.