CID 22625009

Ethyl 2-chloro-6-methylisonicotinate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CCOC(=O)C1=CC(=NC(=C1)C)Cl
InChI
InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
InChIKey
UMAAIDIASQFLTF-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-6-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

199.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 137.8
[M+Na]+ 222.02923 148.0
[M-H]- 198.03273 140.6
[M+NH4]+ 217.07383 157.2
[M+K]+ 238.00317 145.0
[M+H-H2O]+ 182.03727 132.4
[M+HCOO]- 244.03821 156.2
[M+CH3COO]- 258.05386 183.4
[M+Na-2H]- 220.01468 143.2
[M]+ 199.03946 142.5
[M]- 199.04056 142.5
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

patents stripe