CID 129958359

Methyl 5-acetyl-2-chloropyridine-3-carboxylate

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
CC(=O)C1=CC(=C(N=C1)Cl)C(=O)OC
InChI
InChI=1S/C9H8ClNO3/c1-5(12)6-3-7(9(13)14-2)8(10)11-4-6/h3-4H,1-2H3
InChIKey
WLKMYZJCFWBWDA-UHFFFAOYSA-N
Compound name
methyl 5-acetyl-2-chloropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 140.7
[M+Na]+ 236.00849 154.1
[M+NH4]+ 231.05309 147.9
[M+K]+ 251.98243 148.9
[M-H]- 212.01199 141.0
[M+Na-2H]- 233.99394 146.5
[M]+ 213.01872 142.8
[M]- 213.01982 142.8
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.