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]+ 194.08118 141.3
[M+Na]+ 216.06312 147.9
[M-H]- 192.06662 142.0
[M+NH4]+ 211.10772 158.5
[M+K]+ 232.03706 146.1
[M+H-H2O]+ 176.07116 134.6
[M+HCOO]- 238.07210 161.9
[M+CH3COO]- 252.08775 179.0
[M+Na-2H]- 214.04857 146.1
[M]+ 193.07335 141.7
[M]- 193.07445 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.