CID 75525031

Methyl 6-(2-chloroacetamido)pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H9ClN2O3
SMILES
COC(=O)C1=NC(=CC=C1)NC(=O)CCl
InChI
InChI=1S/C9H9ClN2O3/c1-15-9(14)6-3-2-4-7(11-6)12-8(13)5-10/h2-4H,5H2,1H3,(H,11,12,13)
InChIKey
LANIZQHHVOCSBP-UHFFFAOYSA-N
Compound name
methyl 6-[(2-chloroacetyl)amino]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03017 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.037446 145.0
[M+Na]+ 251.019388 153.2
[M-H]- 227.022894 147.5
[M+NH4]+ 246.063993 162.3
[M+K]+ 266.993328 150.6
[M+H-H2O]+ 211.027430 138.8
[M+HCOO]- 273.028371 163.9
[M+CH3COO]- 287.044021 188.5
[M+Na-2H]- 249.004836 150.1
[M]+ 228.02962142 148.5
[M]- 228.03071858 148.5
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.