CID 167741284

Ethyl 3-chloro-5-methoxypyridine-4-carboxylate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC(=O)C1=C(C=NC=C1OC)Cl
InChI
InChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-11-5-7(8)13-2/h4-5H,3H2,1-2H3
InChIKey
GFXBFBBJXGAJKE-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-5-methoxypyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 140.6
[M+Na]+ 238.024148 150.6
[M-H]- 214.027654 143.4
[M+NH4]+ 233.068753 159.2
[M+K]+ 253.998088 148.2
[M+H-H2O]+ 198.032190 134.9
[M+HCOO]- 260.033131 159.2
[M+CH3COO]- 274.048781 185.4
[M+Na-2H]- 236.009596 146.0
[M]+ 215.03438142 146.7
[M]- 215.03547858 146.7
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

No patent data available for this compound.