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]+ 229.03745 145.0
[M+Na]+ 251.01939 153.2
[M-H]- 227.02289 147.5
[M+NH4]+ 246.06399 162.3
[M+K]+ 266.99333 150.6
[M+H-H2O]+ 211.02743 138.8
[M+HCOO]- 273.02837 163.9
[M+CH3COO]- 287.04402 188.5
[M+Na-2H]- 249.00484 150.1
[M]+ 228.02962 148.5
[M]- 228.03072 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.