CID 13339618

Methyl 2-chloro-6-methoxyisonicotinate

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC1=NC(=CC(=C1)C(=O)OC)Cl
InChI
InChI=1S/C8H8ClNO3/c1-12-7-4-5(8(11)13-2)3-6(9)10-7/h3-4H,1-2H3
InChIKey
DAPAXVAUEVRBGS-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-methoxypyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

201.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 135.8
[M+Na]+ 224.00849 146.3
[M-H]- 200.01199 138.8
[M+NH4]+ 219.05309 155.0
[M+K]+ 239.98243 144.1
[M+H-H2O]+ 184.01653 130.4
[M+HCOO]- 246.01747 154.8
[M+CH3COO]- 260.03312 182.4
[M+Na-2H]- 221.99394 141.8
[M]+ 201.01872 141.6
[M]- 201.01982 141.6
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