CID 211897

3-pyridylmethyl 5-chloronicotinate

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=CN=C1)COC(=O)C2=CC(=CN=C2)Cl
InChI
InChI=1S/C12H9ClN2O2/c13-11-4-10(6-15-7-11)12(16)17-8-9-2-1-3-14-5-9/h1-7H,8H2
InChIKey
XOOJNWDAXVCRLA-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl 5-chloropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 151.5
[M+Na]+ 271.02447 167.4
[M+NH4]+ 266.06907 159.6
[M+K]+ 286.99841 159.7
[M-H]- 247.02797 154.6
[M+Na-2H]- 269.00992 161.4
[M]+ 248.03470 155.0
[M]- 248.03580 155.0
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.