CID 142408

Ethyl 2-chloro-3-cyano-6-methylisonicotinate

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CCOC(=O)C1=C(C(=NC(=C1)C)Cl)C#N
InChI
InChI=1S/C10H9ClN2O2/c1-3-15-10(14)7-4-6(2)13-9(11)8(7)5-12/h4H,3H2,1-2H3
InChIKey
XUXBHWPRQGVLRY-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.3
[M+Na]+ 247.02447 155.4
[M-H]- 223.02797 145.8
[M+NH4]+ 242.06907 159.9
[M+K]+ 262.99841 151.6
[M+H-H2O]+ 207.03251 131.3
[M+HCOO]- 269.03345 158.3
[M+CH3COO]- 283.04910 200.2
[M+Na-2H]- 245.00992 147.2
[M]+ 224.03470 143.0
[M]- 224.03580 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe