CID 46311506

1214388-04-1

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CCOC(=O)C1=C(C(=O)NC=C1)Cl
InChI
InChI=1S/C8H8ClNO3/c1-2-13-8(12)5-3-4-10-7(11)6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKey
JSWVYTKRQAHONO-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 135.8
[M+Na]+ 224.00849 146.1
[M-H]- 200.01199 137.4
[M+NH4]+ 219.05309 154.2
[M+K]+ 239.98243 142.4
[M+H-H2O]+ 184.01653 130.7
[M+HCOO]- 246.01747 153.4
[M+CH3COO]- 260.03312 179.1
[M+Na-2H]- 221.99394 141.1
[M]+ 201.01872 138.9
[M]- 201.01982 138.9
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.