CID 140830629

Schembl21847883

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CC1=C(C(=NC(=C1Cl)C)C(=O)OC)C#N
InChI
InChI=1S/C10H9ClN2O2/c1-5-7(4-12)9(10(14)15-3)13-6(2)8(5)11/h1-3H3
InChIKey
MHDTVDGEYIDXHK-UHFFFAOYSA-N
Compound name
methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

224.03525 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 142.7
[M+Na]+ 247.024468 155.5
[M-H]- 223.027974 145.5
[M+NH4]+ 242.069073 159.5
[M+K]+ 262.998408 151.9
[M+H-H2O]+ 207.032510 131.0
[M+HCOO]- 269.033451 157.7
[M+CH3COO]- 283.049101 201.3
[M+Na-2H]- 245.009916 146.0
[M]+ 224.03470142 142.7
[M]- 224.03579858 142.7
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

patents stripe