CID 135514768

Potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCOC(=O)/C(=C/C1=CC=NC=C1)/O
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)7-8-3-5-11-6-4-8/h3-7,12H,2H2,1H3/b9-7-
InChIKey
IYSQQLBDFAGIRL-CLFYSBASSA-N
Compound name
ethyl (Z)-2-hydroxy-3-pyridin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 141.3
[M+Na]+ 216.063118 147.9
[M-H]- 192.066624 142.0
[M+NH4]+ 211.107723 158.5
[M+K]+ 232.037058 146.1
[M+H-H2O]+ 176.071160 134.6
[M+HCOO]- 238.072101 161.9
[M+CH3COO]- 252.087751 179.0
[M+Na-2H]- 214.048566 146.1
[M]+ 193.07335142 141.7
[M]- 193.07444858 141.7
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.